3-[2-nitro-3-[[6-oxidanylidene-1-[3-(1-oxidanylpentyl)phenyl]piperidin-2-yl]methyl]phenyl]propanoate

Systemtic Name: 3-[2-nitro-3-[[6-oxidanylidene-1-[3-(1-oxidanylpentyl)phenyl]piperidin-2-yl]methyl]phenyl]propanoate Openeye Name: 3-[3-[[1-[3-(1-hydroxypentyl)phenyl]-6-oxo-2-piperidyl]methyl]-2-nitro-phenyl]propanoate CAS Name: 3-[3-[[1-[3-(1-hydroxypentyl)phenyl]-6-oxo-2-piperidinyl]methyl]-2-nitrophenyl]propanoate IUPAC Name: 3-[3-[[1-[3-(1-hydroxypentyl)phenyl]-6-oxopiperidin-2-yl]methyl]-2-nitrophenyl]propanoate Traditional Name: 3-[3-[[1-[3-(1-hydroxypentyl)phenyl]-6-keto-2-piperidyl]methyl]-2-nitro-phenyl]propionate Formula: C26H31N2O6- MolecularWeight: 467.53414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=CC=C1)N2C(CCCC2=O)CC3=C(C(=CC=C3)CCC(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCCCC(C1=CC(=CC=C1)N2C(CCCC2=O)CC3=C(C(=CC=C3)CCC(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C26H32N2O6/c1-2-3-12-23(29)19-8-5-10-21(16-19)27-22(11-6-13-24(27)30)17-20-9-4-7-18(14-15-25(31)32)26(20)28(33)34/h4-5,7-10,16,22-23,29H,2-3,6,11-15,17H2,1H3,(H,31,32)/p-1