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

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (2-cumidino-2-keto-ethyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-4-27-18-10-7-15(11-17(18)22(25)26)20(24)28-12-19(23)21-16-8-5-14(6-9-16)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,23)