[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-5-29-19-12-17(23(26)27)16(11-18(19)28-4)21(25)30-13-20(24)22(14(2)3)15-9-7-6-8-10-15/h6-12,14H,5,13H2,1-4H3