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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3

InChI

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