2-[[3-(4-methylphenyl)-5-oxidanylidene-1H-1,2,4-triazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(4-methylphenyl)-5-oxidanylidene-1H-1,2,4-triazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-oxo-3-(p-tolyl)-1H-1,2,4-triazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[3-(4-methylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(4-methylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-keto-3-(p-tolyl)-1H-1,2,4-triazol-4-yl]carbamoyl]benzoic acid Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=O)N2NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=O)N2NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H14N4O4/c1-10-6-8-11(9-7-10)14-18-19-17(25)21(14)20-15(22)12-4-2-3-5-13(12)16(23)24/h2-9H,1H3,(H,19,25)(H,20,22)(H,23,24)