[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2,4,6-trimethylbenzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2,4,6-trimethylbenzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3/c1-14-10-15(2)21(16(3)11-14)23(28)29-13-20(27)17(12-24)22-25(4)18-8-6-7-9-19(18)26(22)5/h6-11H,13H2,1-5H3