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

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-methoxy-4-methyl-benzoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-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-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-13-8-9-14(10-19(13)27-3)21(26)28-12-18(25)15(11-22)20-23-16-6-4-5-7-17(16)24(20)2/h4-10,23H,12H2,1-3H3/b20-15+