1-[(2-nitrophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-nitrobenzyl)-1,4-diazepane Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c16-15(17)12-5-2-1-4-11(12)10-14-8-3-6-13-7-9-14/h1-2,4-5,13H,3,6-10H2