1-[(5-fluoranyl-2-nitro-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-fluoro-2-nitro-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-fluoro-2-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-fluoro-2-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-(5-fluoro-2-nitro-benzyl)-1,4-diazepane Formula: C12H16FN3O2 MolecularWeight: 253.272743

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)CC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H16FN3O2/c13-11-2-3-12(16(17)18)10(8-11)9-15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7,9H2