[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C

InChI

InChI=1S/C23H19N5O3/c1-14-11-15(2)28(27-14)17-9-7-16(8-10-17)23(30)31-13-21(29)18(12-24)22-25-19-5-3-4-6-20(19)26-22/h3-11,25-26H,13H2,1-2H3