Benzoic acid, 2-[[2-[5-(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahydro-4,6-dioxopyrrolo[3,4-d]-1,2,3-triazol-1(3aH)-yl]acetyl]amino]-, ethyl ester

CAS Registry Number®

1052612-50-6
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CAS Name

Benzoic acid, 2-[[2-[5-(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahydro-4,6-dioxopyrrolo[3,4-d]-1,2,3-triazol-1(3aH)-yl]acetyl]amino]-, ethyl ester

Molecular Formula

C23H23N5O7

Molecular Mass

481.46

Cite this Page

Benzoic acid, 2-[[2-[5-(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahydro-4,6-dioxopyrrolo[3,4-d]-1,2,3-triazol-1(3aH)-yl]acetyl]amino]-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1052612-50-6 (retrieved 2024-09-09) (CAS RN: 1052612-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H23N5O7/c1-4-35-23(32)14-7-5-6-8-15(14)24-18(29)12-27-20-19(25-26-27)21(30)28(22(20)31)13-9-10-16(33-2)17(11-13)34-3/h5-11,19-20H,4,12H2,1-3H3,(H,24,29)

InChIKey

InChIKey=HPBOGEUOANLHDI-UHFFFAOYSA-N

SMILES

C(C(NC1=C(C(OCC)=O)C=CC=C1)=O)N2C3C(C(=O)N(C3=O)C4=CC(OC)=C(OC)C=C4)N=N2

Canonical SMILES

O=C(OCC)C=1C=CC=CC1NC(=O)CN2N=NC3C(=O)N(C(=O)C23)C4=CC=C(OC)C(OC)=C4

Other Names for this Substance

  • Benzoic acid, 2-[[2-[5-(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahydro-4,6-dioxopyrrolo[3,4-d]-1,2,3-triazol-1(3aH)-yl]acetyl]amino]-, ethyl ester
  • Ethyl 2-({[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
  • Ethyl 2-[[2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-1-yl]acetyl]amino]benzoate
  • Ethyl 2-(2-(5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamido)benzoate