N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H17N3O6/c22-15-6-5-13(21(25)26)9-12(15)10-19-17(23)11-20-14-3-1-2-4-16(14)27-8-7-18(20)24/h1-6,9,22H,7-8,10-11H2,(H,19,23)