[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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