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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)C)C(=O)OC2=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)OC2=CC=CC(=C2)[N+](=O)[O-])C(=O)OOCCCCNCC(COC3=CC=CC=C3)O

InChI

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