[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-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-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C23H28N2O7 MolecularWeight: 444.47762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O7/c1-5-31-21-13-19(25(28)29)18(12-20(21)30-4)23(27)32-14-22(26)24-11-10-16-6-8-17(9-7-16)15(2)3/h6-9,12-13,15H,5,10-11,14H2,1-4H3,(H,24,26)