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

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(N-isopropylanilino)-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)N(C2=CC=CC=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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