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

Systemtic Name: 3-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-amino-3-(1H-benzimidazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)O)N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)O)N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H14N4O3/c19-16-15(17-20-12-6-1-2-7-13(12)21-17)14(23)9-22(16)11-5-3-4-10(8-11)18(24)25/h1-8H,9,19H2,(H,20,21)(H,24,25)