(3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone

Systemtic Name: (3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone Openeye Name: (3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone CAS Name: (3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone IUPAC Name: (3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone Traditional Name: (3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone Formula: C13H10F3N3O3 MolecularWeight: 313.23201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10F3N3O3/c14-13(15,16)11-4-6-18(7-5-17-11)12(20)9-2-1-3-10(8-9)19(21)22/h1-4,6,8H,5,7H2