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

Systemtic Name: 5-hexadecyl-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-hexadecyl-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-hexadecyl-7-nitro-9-phenoxy-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-hexadecyl-7-nitro-9-phenoxybenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-cetyl-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Formula: C35H44N2O5 MolecularWeight: 572.73426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C35H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-36-30-23-18-19-24-32(30)42-33-27-29(41-28-21-16-15-17-22-28)26-31(37(39)40)34(33)35(36)38/h15-19,21-24,26-27H,2-14,20,25H2,1H3