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

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[4-[(2-oxidanyl-3-phenoxy-propyl)amino]butylperoxycarbonyl]pyridine-3-carboxylic acid Openeye Name: 5-[4-[(2-hydroxy-3-phenoxy-propyl)amino]butylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 5-[4-[(2-hydroxy-3-phenoxypropyl)amino]butyldioxy-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 5-[4-[(2-hydroxy-3-phenoxypropyl)amino]butylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 5-[4-[(2-hydroxy-3-phenoxy-propyl)amino]butylperoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid Formula: C28H31N3O9 MolecularWeight: 553.56044

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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)OOCCCCNCC(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)OOCCCCNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C28H31N3O9/c1-18-24(27(33)34)26(20-9-8-10-21(15-20)31(36)37)25(19(2)30-18)28(35)40-39-14-7-6-13-29-16-22(32)17-38-23-11-4-3-5-12-23/h3-5,8-12,15,22,29,32H,6-7,13-14,16-17H2,1-2H3,(H,33,34)