[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (E)-3-(2-fluorophenyl)prop-2-enoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (E)-3-(2-fluorophenyl)prop-2-enoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] (E)-3-(2-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(2-fluorophenyl)-2-propenoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] (E)-3-(2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-fluorophenyl)acrylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H18FN3O3 MolecularWeight: 391.395023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C=CC3=CC=CC=C3F)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)/C=C/C3=CC=CC=C3F)C

InChI

InChI=1S/C22H18FN3O3/c1-25-18-9-5-6-10-19(18)26(2)22(25)16(13-24)20(27)14-29-21(28)12-11-15-7-3-4-8-17(15)23/h3-12H,14H2,1-2H3/b12-11+