5-(2-fluorophenyl)-1,1-dimethyl-7-nitro-3H-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 5-(2-fluorophenyl)-1,1-dimethyl-7-nitro-3H-1,4-benzodiazepin-1-ium-2-one Openeye Name: 5-(2-fluorophenyl)-1,1-dimethyl-7-nitro-3H-1,4-benzodiazepin-1-ium-2-one CAS Name: 5-(2-fluorophenyl)-1,1-dimethyl-7-nitro-3H-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 5-(2-fluorophenyl)-1,1-dimethyl-7-nitro-3H-1,4-benzodiazepin-1-ium-2-one Traditional Name: 5-(2-fluorophenyl)-1,1-dimethyl-7-nitro-3H-1,4-benzodiazepin-1-ium-2-one Formula: C17H15FN3O3+ MolecularWeight: 328.317703

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F)C

Isomeric SMILES

C[N+]1(C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F)C

InChI

InChI=1S/C17H15FN3O3/c1-21(2)15-8-7-11(20(23)24)9-13(15)17(19-10-16(21)22)12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3/q+1