2-(7-nitro-5-oxidanylidene-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoic acid

Systemtic Name: 2-(7-nitro-5-oxidanylidene-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoic acid Openeye Name: 2-(7-nitro-5-oxo-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)acetic acid CAS Name: 2-(7-nitro-5-oxo-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)acetic acid IUPAC Name: 2-(7-nitro-5-oxo-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)acetic acid Traditional Name: 2-(5-keto-7-nitro-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)acetic acid Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O6/c20-16(21)10-18-9-15(11-4-2-1-3-5-11)25-14-7-6-12(19(23)24)8-13(14)17(18)22/h1-8,15H,9-10H2,(H,20,21)