1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-methyl-1,4-diazepane

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-methyl-1,4-diazepane Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-methyl-1,4-diazepane CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-methyl-1,4-diazepane IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-methyl-1,4-diazepane Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-methyl-1,4-diazepane Formula: C13H18ClN3O2 MolecularWeight: 283.75392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

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