1,3-bis(chloranyl)-N-(4-methoxyphenyl)-9-nitro-benzo[b][1]benzoxepine-7-carboxamide

Systemtic Name: 1,3-bis(chloranyl)-N-(4-methoxyphenyl)-9-nitro-benzo[b][1]benzoxepine-7-carboxamide Openeye Name: 1,3-dichloro-N-(4-methoxyphenyl)-9-nitro-benzo[b][1]benzoxepine-7-carboxamide CAS Name: 1,3-dichloro-N-(4-methoxyphenyl)-9-nitro-7-benzo[b][1]benzoxepincarboxamide IUPAC Name: 1,3-dichloro-N-(4-methoxyphenyl)-9-nitrobenzo[b][1]benzoxepine-7-carboxamide Traditional Name: 1,3-dichloro-N-(4-methoxyphenyl)-9-nitro-benzo[b][1]benzoxepin-7-carboxamide Formula: C22H14Cl2N2O5 MolecularWeight: 457.26296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14Cl2N2O5/c1-30-16-5-3-14(4-6-16)25-22(27)18-10-15(26(28)29)11-20-17(18)7-2-12-8-13(23)9-19(24)21(12)31-20/h2-11H,1H3,(H,25,27)