7-nitro-5-phenethyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 7-nitro-5-phenethyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 7-nitro-5-phenethyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one CAS Name: 7-nitro-5-phenethyl-9-phenoxy-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 7-nitro-5-phenethyl-9-phenoxybenzo[b][1,4]benzoxazepin-6-one Traditional Name: 7-nitro-5-phenethyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3OC4=C(C2=O)C(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3OC4=C(C2=O)C(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N2O5/c30-27-26-23(29(31)32)17-21(33-20-11-5-2-6-12-20)18-25(26)34-24-14-8-7-13-22(24)28(27)16-15-19-9-3-1-4-10-19/h1-14,17-18H,15-16H2