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

Systemtic Name: 1-[4-(chloromethyl)-2-nitro-phenyl]-4-methyl-1,4-diazepane Openeye Name: 1-[4-(chloromethyl)-2-nitro-phenyl]-4-methyl-1,4-diazepane CAS Name: 1-[4-(chloromethyl)-2-nitrophenyl]-4-methyl-1,4-diazepane IUPAC Name: 1-[4-(chloromethyl)-2-nitrophenyl]-4-methyl-1,4-diazepane Traditional Name: 1-[4-(chloromethyl)-2-nitro-phenyl]-4-methyl-1,4-diazepane Formula: C13H18ClN3O2 MolecularWeight: 283.75392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)CCl)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)CCl)[N+](=O)[O-]

InChI

InChI=1S/C13H18ClN3O2/c1-15-5-2-6-16(8-7-15)12-4-3-11(10-14)9-13(12)17(18)19/h3-4,9H,2,5-8,10H2,1H3