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

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-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] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c1-14(2)17-6-4-16(5-7-17)10-11-22-20(24)13-28-21(25)18-8-9-19(23(26)27)15(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,24)