methyl 3-bromanyl-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]benzoate Openeye Name: methyl 3-bromo-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propoxy]benzoate CAS Name: 3-bromo-4-[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropoxy]benzoate Traditional Name: 3-bromo-4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propoxy]benzoic acid methyl ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC3=C(C=C(C=C3)C(=O)OC)Br)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC3=C(C=C(C=C3)C(=O)OC)Br)C

InChI

InChI=1S/C21H18BrN3O4/c1-24-16-6-4-5-7-17(16)25(2)20(24)14(11-23)18(26)12-29-19-9-8-13(10-15(19)22)21(27)28-3/h4-10H,12H2,1-3H3