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

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N)C

InChI

InChI=1S/C21H22N4O3/c1-5-25-13(2)10-15(14(25)3)21(27)28-12-19(26)16(11-22)20-23-17-8-6-7-9-18(17)24(20)4/h6-10,23H,5,12H2,1-4H3/b20-16+