3-[(4-nitro-1-oxidanyl-pyridin-2-ylidene)amino]propyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-[(4-nitro-1-oxidanyl-pyridin-2-ylidene)amino]propyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-[(1-hydroxy-4-nitro-2-pyridylidene)amino]propyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoic acid 3-[(1-hydroxy-4-nitro-2-pyridinylidene)amino]propyl ester IUPAC Name: 3-[(1-hydroxy-4-nitropyridin-2-ylidene)amino]propyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl)peracetic acid 3-[(1-hydroxy-4-nitro-2-pyridylidene)amino]propyl ester Formula: C21H24N4O7 MolecularWeight: 444.43786

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCN=C3C=C(C=CN3O)[N+](=O)[O-]

Isomeric SMILES

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCN=C3C=C(C=CN3O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7/c1-23-14-16-6-3-2-5-15(16)11-17(21(23)27)12-20(26)32-31-10-4-8-22-19-13-18(25(29)30)7-9-24(19)28/h2-3,5-7,9,13,17,28H,4,8,10-12,14H2,1H3