N-(3-chloranyl-4-fluoranyl-phenyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-nitro-4-benzo[b][1]benzoxepincarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-nitrobenzo[b][1]benzoxepine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-nitro-benzo[b][1]benzoxepin-4-carboxamide Formula: C21H12ClFN2O4 MolecularWeight: 410.782383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3C(=O)NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3C(=O)NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H12ClFN2O4/c22-17-9-13(6-8-18(17)23)24-21(26)16-10-14(25(27)28)11-20-15(16)7-5-12-3-1-2-4-19(12)29-20/h1-11H,(H,24,26)