(1S)-N-butyl-1-(4-chloranyl-3-nitro-phenyl)-N-methyl-ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-1-(4-chloranyl-3-nitro-phenyl)-N-methyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-(4-chloro-3-nitro-phenyl)-N-methyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-(4-chloro-3-nitrophenyl)-N-methylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-(4-chloro-3-nitrophenyl)-N-methylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(4-chloro-3-nitro-phenyl)ethyl]-butyl-methyl-amine Formula: C13H20ClN3O2 MolecularWeight: 285.7698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(CN)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)[C@H](CN)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H20ClN3O2/c1-3-4-7-16(2)13(9-15)10-5-6-11(14)12(8-10)17(18)19/h5-6,8,13H,3-4,7,9,15H2,1-2H3/t13-/m1/s1