methyl 1-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(2-nitrophenyl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-28-19(25)20(11-5-2-6-12-20)21-18(24)15-9-13-22(14-10-15)16-7-3-4-8-17(16)23(26)27/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,21,24)