dimethyl 5-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2-amino-3-(1H-benzimidazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5/c1-29-20(27)11-7-12(21(28)30-2)9-13(8-11)25-10-16(26)17(18(25)22)19-23-14-5-3-4-6-15(14)24-19/h3-9H,10,22H2,1-2H3,(H,23,24)