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

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-4-29-20-10-9-18(13-19(20)24(27)28)22(26)30-14-21(25)23-12-11-16-5-7-17(8-6-16)15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,23,25)