1-[8-bromanyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[8-bromanyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-2,2,2-trifluoro-ethanone CAS Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-2,2,2-trifluoroethanone IUPAC Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-2,2,2-trifluoroethanone Traditional Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-2,2,2-trifluoro-ethanone Formula: C18H13BrF3N3O3 MolecularWeight: 456.21333

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)Br)C(=NN1C(=O)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)Br)C(=NN1C(=O)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrF3N3O3/c1-10-8-12-2-5-13(19)9-15(12)16(23-24(10)17(26)18(20,21)22)11-3-6-14(7-4-11)25(27)28/h2-7,9-10H,8H2,1H3