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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxybenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-3-25-16-9-7-13(8-10-16)18(22)26-12(2)17(21)19-14-5-4-6-15(11-14)20(23)24/h4-12H,3H2,1-2H3,(H,19,21)