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

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-aminocarbonylbenzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-24-16-5-3-4-6-17(16)25(2)20(24)15(11-22)18(26)12-29-21(28)14-9-7-13(8-10-14)19(23)27/h3-10H,12H2,1-2H3,(H2,23,27)