[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCOC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22N2O7/c1-14-12-15(22(25)26)5-10-18(14)21-19(23)13-29-20(24)4-3-11-28-17-8-6-16(27-2)7-9-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)