8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C21H14F3N3O4 MolecularWeight: 429.34877

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3N1C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3N1C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O4/c22-21(23,24)14-4-3-5-15(11-14)25-20(28)26-12-13-10-16(27(29)30)8-9-18(13)31-19-7-2-1-6-17(19)26/h1-11H,12H2,(H,25,28)