4-[2-[4-[2,3-bis(oxidanyl)propoxy]phenyl]ethyl]-1,2,6-trimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[2-[4-[2,3-bis(oxidanyl)propoxy]phenyl]ethyl]-1,2,6-trimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]-1,2,6-trimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid CAS Name: 4-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]-1,2,6-trimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]-1,2,6-trimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-(4-glyceryloxyphenyl)ethyl]-1,2,6-trimethyl-4-(3-nitrophenyl)dinicotinic acid Formula: C27H30N2O9 MolecularWeight: 526.5351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1C)C)C(=O)O)(CCC2=CC=C(C=C2)OCC(CO)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1C)C)C(=O)O)(CCC2=CC=C(C=C2)OCC(CO)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H30N2O9/c1-16-23(25(32)33)27(24(26(34)35)17(2)28(16)3,19-5-4-6-20(13-19)29(36)37)12-11-18-7-9-22(10-8-18)38-15-21(31)14-30/h4-10,13,21,30-31H,11-12,14-15H2,1-3H3,(H,32,33)(H,34,35)