9,9-dimethyl-6-(3-nitrophenyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-6-(3-nitrophenyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoro-1-oxoethyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C23H20F3N3O4 MolecularWeight: 459.41781

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C23H20F3N3O4/c1-22(2)11-16-19(18(30)12-22)20(13-6-5-7-14(10-13)29(32)33)28(21(31)23(24,25)26)17-9-4-3-8-15(17)27-16/h3-10,20,27H,11-12H2,1-2H3