1-methyl-6-nitro-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-methyl-6-nitro-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-methyl-6-nitro-1,4-diazepane CAS Name: 1-methyl-6-nitro-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-methyl-6-nitro-1,4-diazepane Traditional Name: 1-benzyl-4-methyl-6-nitro-1,4-diazepane Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN1CCN(CC(C1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H19N3O2/c1-14-7-8-15(11-13(10-14)16(17)18)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3