3-[5-azanyl-3-oxidanylidene-4-(4-phenyl-1,2,4-triazol-3-yl)-2H-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[5-azanyl-3-oxidanylidene-4-(4-phenyl-1,2,4-triazol-3-yl)-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[5-amino-3-oxo-4-(4-phenyl-1,2,4-triazol-3-yl)-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[5-amino-3-oxo-4-(4-phenyl-1,2,4-triazol-3-yl)-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[5-amino-3-oxo-4-(4-phenyl-1,2,4-triazol-3-yl)-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-amino-4-keto-3-(4-phenyl-1,2,4-triazol-3-yl)-2-pyrrolin-1-yl]benzoic acid Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)O)N)C3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)O)N)C3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O3/c20-17-16(18-22-21-11-24(18)13-6-2-1-3-7-13)15(25)10-23(17)14-8-4-5-12(9-14)19(26)27/h1-9,11H,10,20H2,(H,26,27)