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

Systemtic Name: 3-[[4-(1,2,4-triazol-4-yl)phenyl]carbonylamino]benzoate Openeye Name: 3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate CAS Name: 3-[[oxo-[4-(1,2,4-triazol-4-yl)phenyl]methyl]amino]benzoate IUPAC Name: 3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate Traditional Name: 3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate Formula: C16H11N4O3- MolecularWeight: 307.28354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=C3)C(=O)[O-]

InChI

InChI=1S/C16H12N4O3/c21-15(19-13-3-1-2-12(8-13)16(22)23)11-4-6-14(7-5-11)20-9-17-18-10-20/h1-10H,(H,19,21)(H,22,23)/p-1