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

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-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-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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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=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O3/c1-25-18-8-3-4-9-19(18)26(2)22(25)17(13-24)20(27)14-29-21(28)11-10-15-6-5-7-16(23)12-15/h3-12H,14H2,1-2H3/b11-10+