[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O5/c1-4-18-5-7-19(8-6-18)23(27)17(3)31-24(28)20-9-10-21(22(15-20)26(29)30)25-13-11-16(2)12-14-25/h5-10,15-17H,4,11-14H2,1-3H3