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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-3-13-7-9-14(10-8-13)18(22)25-12(2)17(21)19-15-5-4-6-16(11-15)20(23)24/h4-12H,3H2,1-2H3,(H,19,21)