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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2,4,6-trimethylbenzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

InChI

InChI=1S/C21H19N3O3/c1-12-8-13(2)19(14(3)9-12)21(26)27-11-18(25)15(10-22)20-23-16-6-4-5-7-17(16)24-20/h4-9,23-24H,11H2,1-3H3