N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-fluoranyl-3-nitro-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-fluoranyl-3-nitro-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-fluoro-3-nitro-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-fluoro-3-nitrobenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-fluoro-3-nitrobenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-fluoro-3-nitro-benzamide Formula: C17H14ClFN2O5 MolecularWeight: 380.754863

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C17H14ClFN2O5/c18-12-6-10(7-15-16(12)26-5-1-4-25-15)9-20-17(22)11-2-3-13(19)14(8-11)21(23)24/h2-3,6-8H,1,4-5,9H2,(H,20,22)