3-[1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-[4-(2-oxo-1-pyrrolidinyl)phenyl]-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-[4-(2-ketopyrrolidino)phenyl]-1,2,4-triazol-3-yl]benzoic acid Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)N3C=NC(=N3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)N3C=NC(=N3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C19H16N4O3/c24-17-5-2-10-22(17)15-6-8-16(9-7-15)23-12-20-18(21-23)13-3-1-4-14(11-13)19(25)26/h1,3-4,6-9,11-12H,2,5,10H2,(H,25,26)