1-[(3-nitrophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-(3-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)12-4-1-3-11(9-12)10-14-7-2-5-13-6-8-14/h1,3-4,9,13H,2,5-8,10H2