[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3,5-dimethylbenzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3,5-dimethylbenzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

InChI

InChI=1S/C22H21N3O3/c1-14-9-15(2)11-16(10-14)22(27)28-13-20(26)17(12-23)21-24(3)18-7-5-6-8-19(18)25(21)4/h5-11H,13H2,1-4H3