methyl 4-[(1-phenyl-1,2,4-triazol-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(1-phenyl-1,2,4-triazol-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(1-phenyl-1,2,4-triazol-3-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]benzoic acid methyl ester Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3/c1-24-17(23)12-7-9-13(10-8-12)19-16(22)15-18-11-21(20-15)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,22)