[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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