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

Systemtic Name: (1S)-N,N-dibutyl-1-(4-chloranyl-3-nitro-phenyl)ethane-1,2-diamine Openeye Name: (1S)-N,N-dibutyl-1-(4-chloro-3-nitro-phenyl)ethane-1,2-diamine CAS Name: (1S)-N,N-dibutyl-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine IUPAC Name: (1S)-N,N-dibutyl-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(4-chloro-3-nitro-phenyl)ethyl]-dibutyl-amine Formula: C16H26ClN3O2 MolecularWeight: 327.84954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O2/c1-3-5-9-19(10-6-4-2)16(12-18)13-7-8-14(17)15(11-13)20(21)22/h7-8,11,16H,3-6,9-10,12,18H2,1-2H3/t16-/m1/s1