3-fluoranyl-7-nitro-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-fluoranyl-7-nitro-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-fluoro-7-nitro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-fluoro-7-nitro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-fluoro-7-nitro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-fluoro-7-nitro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one Formula: C17H11F4N3O3 MolecularWeight: 381.281153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC(F)(F)F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC(F)(F)F)F

InChI

InChI=1S/C17H11F4N3O3/c18-15-16(25)23(9-17(19,20)21)13-7-6-11(24(26)27)8-12(13)14(22-15)10-4-2-1-3-5-10/h1-8,15H,9H2