1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-5-one

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-5-one Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-5-one CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-5-one IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-5-one Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-5-one Formula: C12H12F3N3O3 MolecularWeight: 303.23719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCNC1=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F3N3O3/c13-12(14,15)8-1-2-9(10(7-8)18(20)21)17-5-3-11(19)16-4-6-17/h1-2,7H,3-6H2,(H,16,19)