9-nitro-5-(phenylmethyl)benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-nitro-5-(phenylmethyl)benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-benzyl-9-nitro-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-nitro-5-(phenylmethyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-benzyl-9-nitrobenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-benzyl-9-nitro-benzo[b][1,4]benzoxazepin-6-one Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O4/c23-20-16-11-10-15(22(24)25)12-19(16)26-18-9-5-4-8-17(18)21(20)13-14-6-2-1-3-7-14/h1-12H,13H2