2-[[phenyl(1H-1,2,4-triazol-5-yl)methyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[phenyl(1H-1,2,4-triazol-5-yl)methyl]carbamoyl]benzoic acid Openeye Name: 2-[[phenyl(1H-1,2,4-triazol-5-yl)methyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[phenyl(1H-1,2,4-triazol-5-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 2-[[phenyl(1H-1,2,4-triazol-5-yl)methyl]carbamoyl]benzoic acid Traditional Name: 2-[[phenyl(1H-1,2,4-triazol-5-yl)methyl]carbamoyl]benzoic acid Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC=NN2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NC=NN2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H14N4O3/c22-16(12-8-4-5-9-13(12)17(23)24)20-14(15-18-10-19-21-15)11-6-2-1-3-7-11/h1-10,14H,(H,20,22)(H,23,24)(H,18,19,21)