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

Systemtic Name: 4-[5-azanyl-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 4-[5-amino-4-(1-methylbenzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 4-[5-amino-4-(1-methyl-2-benzimidazolyl)-3-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 4-[5-amino-4-(1-methylbenzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-amino-4-keto-3-(1-methylbenzimidazol-2-yl)-2-pyrrolin-1-yl]benzoic acid Formula: C19H16N4O3 MolecularWeight: 348.35534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(N(CC3=O)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(CC3=O)C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C19H16N4O3/c1-22-14-5-3-2-4-13(14)21-18(22)16-15(24)10-23(17(16)20)12-8-6-11(7-9-12)19(25)26/h2-9H,10,20H2,1H3,(H,25,26)