[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-14-11-17(18(22(25)26)12-15(14)2)21-19(23)13-28-20(24)9-6-10-27-16-7-4-3-5-8-16/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,23)