[(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3C)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)/C(=C\3/NC4=CC=CC=C4N3C)/C#N

InChI

InChI=1S/C22H22N4O3/c1-13-10-16(14(2)26(13)15-8-9-15)22(28)29-12-20(27)17(11-23)21-24-18-6-4-5-7-19(18)25(21)3/h4-7,10,15,24H,8-9,12H2,1-3H3/b21-17-