methyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]benzoate

Systemtic Name: methyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]benzoate Openeye Name: methyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propoxy]benzoate CAS Name: 4-[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropoxy]benzoate Traditional Name: 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propoxy]benzoic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H19N3O4/c1-23-17-6-4-5-7-18(17)24(2)20(23)16(12-22)19(25)13-28-15-10-8-14(9-11-15)21(26)27-3/h4-11H,13H2,1-3H3