4-nitro-2-[[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]phenolate Traditional Name: 2-[[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C18H16N3O6- MolecularWeight: 370.33614

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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)/p-1