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

Systemtic Name: ethyl 3-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 3-[2-amino-3-(1H-benzimidazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-2-27-20(26)12-6-5-7-13(10-12)24-11-16(25)17(18(24)21)19-22-14-8-3-4-9-15(14)23-19/h3-10H,2,11,21H2,1H3,(H,22,23)