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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N2O5/c1-11-5-4-8-17(9-11)15(19)10-23-16(20)13-6-3-7-14(12(13)2)18(21)22/h3,6-7,11H,4-5,8-10H2,1-2H3