[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-methoxy-5-methyl-benzoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-methoxy-5-methyl-benzoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-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] 2-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-methyl-benzoic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-13-8-9-19(27-3)14(10-13)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+