[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-3-13-6-5-7-15(10-13)20-18(22)12-27-19(23)14-8-9-17(26-4-2)16(11-14)21(24)25/h5-11H,3-4,12H2,1-2H3,(H,20,22)