O4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester O2-ethyl ester IUPAC Name: 4-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester O2-ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

InChI

InChI=1S/C21H20N4O5/c1-4-29-21(28)18-11(2)17(12(3)23-18)20(27)30-10-16(26)13(9-22)19-24-14-7-5-6-8-15(14)25-19/h5-8,23-25H,4,10H2,1-3H3