methyl 4-chloranyl-3-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoic acid methyl ester Formula: C23H17ClN4O3 MolecularWeight: 432.85908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H17ClN4O3/c1-31-23(30)16-12-13-18(24)19(14-16)25-22(29)20-26-21(15-8-4-2-5-9-15)28(27-20)17-10-6-3-7-11-17/h2-14H,1H3,(H,25,29)