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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)COC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)COC

InChI

InChI=1S/C18H18N2O6/c1-12(17(21)19-15-8-3-4-9-16(15)20(23)24)26-18(22)14-7-5-6-13(10-14)11-25-2/h3-10,12H,11H2,1-2H3,(H,19,21)