(3S)-3-methyl-9-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: (3S)-3-methyl-9-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: (3S)-3-methyl-9-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: (3S)-3-methyl-9-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: (3S)-3-methyl-9-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: (3S)-3-methyl-9-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C11H10F3N3O3 MolecularWeight: 289.21061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=C(C=C2C(=O)N1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CNC2=C(C=C(C=C2C(=O)N1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H10F3N3O3/c1-5-4-15-9-7(10(18)16-5)2-6(11(12,13)14)3-8(9)17(19)20/h2-3,5,15H,4H2,1H3,(H,16,18)/t5-/m0/s1