[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-4-15-7-5-6-10-19(15)17(21)13(3)25-18(22)14-9-8-12(2)16(11-14)20(23)24/h8-9,11,13,15H,4-7,10H2,1-3H3