[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic 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] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N)C

InChI

InChI=1S/C22H21N3O3/c1-14-8-9-16(10-15(14)2)11-21(27)28-13-20(26)17(12-23)22-24-18-6-4-5-7-19(18)25(22)3/h4-10,24H,11,13H2,1-3H3/b22-17+