[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC)OC

InChI

InChI=1S/C20H22N2O7/c1-4-13-8-6-7-9-15(13)21-19(23)12-29-20(24)14-10-17(27-3)18(28-5-2)11-16(14)22(25)26/h6-11H,4-5,12H2,1-3H3,(H,21,23)