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

Systemtic Name: 1-[2,2-bis(fluoranyl)propanoyl]-8-bromanyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 8-bromo-1-(2,2-difluoropropanoyl)-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 8-bromo-1-(2,2-difluoro-1-oxopropyl)-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 8-bromo-1-(2,2-difluoropropanoyl)-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 8-bromo-1-(2,2-difluoropropanoyl)-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C12H10BrF2N3O4 MolecularWeight: 378.126306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(=O)NC2=C(C=C(C=C21)Br)[N+](=O)[O-])(F)F

Isomeric SMILES

CC(C(=O)N1CCC(=O)NC2=C(C=C(C=C21)Br)[N+](=O)[O-])(F)F

InChI

InChI=1S/C12H10BrF2N3O4/c1-12(14,15)11(20)17-3-2-9(19)16-10-7(17)4-6(13)5-8(10)18(21)22/h4-5H,2-3H2,1H3,(H,16,19)