[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(ethoxycarbonylamino)benzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(ethoxycarbonylamino)benzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3-(ethoxycarbonylamino)benzoate CAS Name: 3-(ethoxycarbonylamino)benzoic 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-(ethoxycarbonylamino)benzoate Traditional Name: 3-(carbethoxyamino)benzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C23H22N4O5/c1-4-31-23(30)25-16-9-7-8-15(12-16)22(29)32-14-20(28)17(13-24)21-26(2)18-10-5-6-11-19(18)27(21)3/h5-12H,4,14H2,1-3H3,(H,25,30)