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

Systemtic Name: (1S)-N-butyl-1-(4-chloranyl-3-nitro-phenyl)-N-ethyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-(4-chloro-3-nitro-phenyl)-N-ethyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-(4-chloro-3-nitrophenyl)-N-ethylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-(4-chloro-3-nitrophenyl)-N-ethylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(4-chloro-3-nitro-phenyl)ethyl]-butyl-ethyl-amine Formula: C14H22ClN3O2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClN3O2/c1-3-5-8-17(4-2)14(10-16)11-6-7-12(15)13(9-11)18(19)20/h6-7,9,14H,3-5,8,10,16H2,1-2H3/t14-/m1/s1