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

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[6-[(2-oxidanyl-3-phenoxy-propyl)amino]hexylperoxycarbonyl]pyridine-3-carboxylic acid Openeye Name: 5-[6-[(2-hydroxy-3-phenoxy-propyl)amino]hexylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 5-[6-[(2-hydroxy-3-phenoxypropyl)amino]hexyldioxy-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 5-[6-[(2-hydroxy-3-phenoxypropyl)amino]hexylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 5-[6-[(2-hydroxy-3-phenoxy-propyl)amino]hexylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid Formula: C30H35N3O9 MolecularWeight: 581.6136

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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)OOCCCCCCNCC(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)OOCCCCCCNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C30H35N3O9/c1-20-26(29(35)36)28(22-11-10-12-23(17-22)33(38)39)27(21(2)32-20)30(37)42-41-16-9-4-3-8-15-31-18-24(34)19-40-25-13-6-5-7-14-25/h5-7,10-14,17,24,31,34H,3-4,8-9,15-16,18-19H2,1-2H3,(H,35,36)