[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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