2,4-dimethyl-6-nitro-1-(phenylmethyl)-1,4-diazepane

Systemtic Name: 2,4-dimethyl-6-nitro-1-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-2,4-dimethyl-6-nitro-1,4-diazepane CAS Name: 2,4-dimethyl-6-nitro-1-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-2,4-dimethyl-6-nitro-1,4-diazepane Traditional Name: 1-benzyl-2,4-dimethyl-6-nitro-1,4-diazepane Formula: C14H21N3O2 MolecularWeight: 263.33544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(CN1CC2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CN(CC(CN1CC2=CC=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H21N3O2/c1-12-8-15(2)10-14(17(18)19)11-16(12)9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3