2-nitro-N-(2-oxidanyl-2-phenyl-ethyl)benzo[b][1]benzoxepine-4-carboxamide

Systemtic Name: 2-nitro-N-(2-oxidanyl-2-phenyl-ethyl)benzo[b][1]benzoxepine-4-carboxamide Openeye Name: N-(2-hydroxy-2-phenyl-ethyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide CAS Name: N-(2-hydroxy-2-phenylethyl)-2-nitro-4-benzo[b][1]benzoxepincarboxamide IUPAC Name: N-(2-hydroxy-2-phenylethyl)-2-nitrobenzo[b][1]benzoxepine-4-carboxamide Traditional Name: N-(2-hydroxy-2-phenyl-ethyl)-2-nitro-benzo[b][1]benzoxepin-4-carboxamide Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N2O5/c26-20(15-6-2-1-3-7-15)14-24-23(27)19-12-17(25(28)29)13-22-18(19)11-10-16-8-4-5-9-21(16)30-22/h1-13,20,26H,14H2,(H,24,27)