5-[(3-bromophenyl)methyl]-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-[(3-bromophenyl)methyl]-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-[(3-bromophenyl)methyl]-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(3-bromophenyl)methyl]-7-nitro-9-phenoxy-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(3-bromophenyl)methyl]-7-nitro-9-phenoxybenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-(3-bromobenzyl)-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Formula: C26H17BrN2O5 MolecularWeight: 517.32758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C(=C2)[N+](=O)[O-])C(=O)N(C4=CC=CC=C4O3)CC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C(=C2)[N+](=O)[O-])C(=O)N(C4=CC=CC=C4O3)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C26H17BrN2O5/c27-18-8-6-7-17(13-18)16-28-21-11-4-5-12-23(21)34-24-15-20(33-19-9-2-1-3-10-19)14-22(29(31)32)25(24)26(28)30/h1-15H,16H2