[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C20H16FN3O3 MolecularWeight: 365.357743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N)F

InChI

InChI=1S/C20H16FN3O3/c1-12-7-8-13(9-15(12)21)20(26)27-11-18(25)14(10-22)19-23-16-5-3-4-6-17(16)24(19)2/h3-9,23H,11H2,1-2H3/b19-14+