[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic 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:

CC(C)COC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-13(2)12-27-18-9-7-15(8-10-18)20(24)28-14(3)19(23)21-16-5-4-6-17(11-16)22(25)26/h4-11,13-14H,12H2,1-3H3,(H,21,23)