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 esterMolecular Formula
C23H23N5O7Molecular Mass
481.46Cite 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 ) (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