1-[3-nitro-4,5-bis(oxidanyl)phenyl]-16-pyridin-4-yl-hexadecan-2-one

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-16-pyridin-4-yl-hexadecan-2-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-16-(4-pyridyl)hexadecan-2-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-16-pyridin-4-yl-2-hexadecanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-16-pyridin-4-ylhexadecan-2-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-16-(4-pyridyl)hexadecan-2-one Formula: C27H38N2O5 MolecularWeight: 470.60102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCCCCCCCCCCCCCC(=O)CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CCCCCCCCCCCCCCC(=O)CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C27H38N2O5/c30-24(19-23-20-25(29(33)34)27(32)26(31)21-23)14-12-10-8-6-4-2-1-3-5-7-9-11-13-22-15-17-28-18-16-22/h15-18,20-21,31-32H,1-14,19H2