N-(3-methoxyphenyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide Openeye Name: N-(3-methoxyphenyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide CAS Name: N-(3-methoxyphenyl)-2-nitro-4-benzo[b][1]benzoxepincarboxamide IUPAC Name: N-(3-methoxyphenyl)-2-nitrobenzo[b][1]benzoxepine-4-carboxamide Traditional Name: N-(3-methoxyphenyl)-2-nitro-benzo[b][1]benzoxepin-4-carboxamide Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O5/c1-28-17-7-4-6-15(11-17)23-22(25)19-12-16(24(26)27)13-21-18(19)10-9-14-5-2-3-8-20(14)29-21/h2-13H,1H3,(H,23,25)