[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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