methyl 4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C17H13ClN4O3/c1-25-17(24)12-4-2-11(3-5-12)16(23)21-14-8-13(18)6-7-15(14)22-10-19-9-20-22/h2-10H,1H3,(H,21,23)