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

Systemtic Name: 3-fluoranyl-7-nitro-5-pyridin-2-yl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-fluoro-7-nitro-5-(2-pyridyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-fluoro-7-nitro-5-(2-pyridinyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-fluoro-7-nitro-5-pyridin-2-yl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-fluoro-7-nitro-5-(2-pyridyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one Formula: C16H10F4N4O3 MolecularWeight: 382.269213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10F4N4O3/c17-14-15(25)23(8-16(18,19)20)12-5-4-9(24(26)27)7-10(12)13(22-14)11-3-1-2-6-21-11/h1-7,14H,8H2