2,6-dimethyl-4-(3-nitrophenyl)-5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethylperoxycarbonyl]pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethylperoxycarbonyl]pyridine-3-carboxylic acid Openeye Name: 5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 5-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyldioxy-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 5-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid Formula: C26H27N3O9 MolecularWeight: 525.50728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OOCCNCC(COC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OOCCNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C26H27N3O9/c1-16-22(25(31)32)24(18-7-6-8-19(13-18)29(34)35)23(17(2)28-16)26(33)38-37-12-11-27-14-20(30)15-36-21-9-4-3-5-10-21/h3-10,13,20,27,30H,11-12,14-15H2,1-2H3,(H,31,32)