N-(2-nitrobenzo[b][1]benzoxepin-4-yl)cyclohexanecarboxamide

Systemtic Name: N-(2-nitrobenzo[b][1]benzoxepin-4-yl)cyclohexanecarboxamide Openeye Name: N-(2-nitrobenzo[b][1]benzoxepin-4-yl)cyclohexanecarboxamide CAS Name: N-(2-nitro-4-benzo[b][1]benzoxepinyl)cyclohexanecarboxamide IUPAC Name: N-(2-nitrobenzo[b][1]benzoxepin-4-yl)cyclohexanecarboxamide Traditional Name: N-(2-nitrobenzo[b][1]benzoxepin-4-yl)cyclohexanecarboxamide Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4/c24-21(15-7-2-1-3-8-15)22-18-12-16(23(25)26)13-20-17(18)11-10-14-6-4-5-9-19(14)27-20/h4-6,9-13,15H,1-3,7-8H2,(H,22,24)