ethyl 4-[6-methyl-2-[1-(3-nitro-2-oxidanyl-phenyl)carbonylpiperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-(3-nitro-2-oxidanyl-phenyl)carbonylpiperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-hydroxy-3-nitro-benzoyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(2-hydroxy-3-nitrophenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-hydroxy-3-nitrobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(2-hydroxy-3-nitro-benzoyl)-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31N5O7 MolecularWeight: 525.55364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C26H31N5O7/c1-3-38-26(35)30-15-13-29(14-16-30)24(33)19-8-7-17(2)27-22(19)18-9-11-28(12-10-18)25(34)20-5-4-6-21(23(20)32)31(36)37/h4-8,18,32H,3,9-16H2,1-2H3