4-(3-Chlorophenyl)-2,4-dihydro-5-methyl-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one

CAS Registry Number®

860786-51-2
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CAS Name

4-(3-Chlorophenyl)-2,4-dihydro-5-methyl-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one

Molecular Formula

C16H13ClN4O3

Molecular Mass

344.75

Cite this Page

4-(3-Chlorophenyl)-2,4-dihydro-5-methyl-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=860786-51-2 (retrieved 2024-08-24) (CAS RN: 860786-51-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H13ClN4O3/c1-11-18-19(10-12-5-7-14(8-6-12)21(23)24)16(22)20(11)15-4-2-3-13(17)9-15/h2-9H,10H2,1H3

InChIKey

InChIKey=YEATYSCCXZAURT-UHFFFAOYSA-N

SMILES

O=C1N(C(C)=NN1CC2=CC=C(N(=O)=O)C=C2)C3=CC(Cl)=CC=C3

Canonical SMILES

O=C1N(N=C(N1C=2C=CC=C(Cl)C2)C)CC3=CC=C(C=C3)N(=O)=O

Other Names for this Substance

  • 3H-1,2,4-Triazol-3-one, 4-(3-chlorophenyl)-2,4-dihydro-5-methyl-2-[(4-nitrophenyl)methyl]-
  • 4-(3-Chlorophenyl)-2,4-dihydro-5-methyl-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one