8-bromanyl-3-methyl-6-nitro-1-[2,2,2-tris(fluoranyl)ethanoyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 8-bromanyl-3-methyl-6-nitro-1-[2,2,2-tris(fluoranyl)ethanoyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 8-bromo-3-methyl-6-nitro-1-(2,2,2-trifluoroacetyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 8-bromo-3-methyl-6-nitro-1-(2,2,2-trifluoro-1-oxoethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 8-bromo-3-methyl-6-nitro-1-(2,2,2-trifluoroacetyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 8-bromo-3-methyl-6-nitro-1-(2,2,2-trifluoroacetyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C12H9BrF3N3O4 MolecularWeight: 396.11677

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC(=CC(=C2NC1=O)[N+](=O)[O-])Br)C(=O)C(F)(F)F

Isomeric SMILES

CC1CN(C2=CC(=CC(=C2NC1=O)[N+](=O)[O-])Br)C(=O)C(F)(F)F

InChI

InChI=1S/C12H9BrF3N3O4/c1-5-4-18(11(21)12(14,15)16)7-2-6(13)3-8(19(22)23)9(7)17-10(5)20/h2-3,5H,4H2,1H3,(H,17,20)