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

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(2-ethyl-1-piperidyl)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-3-13-7-4-5-10-18(13)16(20)11-24-17(21)14-8-6-9-15(12(14)2)19(22)23/h6,8-9,13H,3-5,7,10-11H2,1-2H3