(2S)-N1-(2-azanylpropyl)-3-(4-nitrophenyl)propane-1,2-diamine

Systemtic Name: (2S)-N1-(2-azanylpropyl)-3-(4-nitrophenyl)propane-1,2-diamine Openeye Name: (2S)-N1-(2-aminopropyl)-3-(4-nitrophenyl)propane-1,2-diamine CAS Name: (2S)-N1-(2-aminopropyl)-3-(4-nitrophenyl)propane-1,2-diamine IUPAC Name: (2S)-1-N-(2-aminopropyl)-3-(4-nitrophenyl)propane-1,2-diamine Traditional Name: [(2S)-2-amino-3-(4-nitrophenyl)propyl]-(2-aminopropyl)amine Formula: C12H20N4O2 MolecularWeight: 252.3128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(CC1=CC=C(C=C1)[N+](=O)[O-])N)N

Isomeric SMILES

CC(CNC[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N)N

InChI

InChI=1S/C12H20N4O2/c1-9(13)7-15-8-11(14)6-10-2-4-12(5-3-10)16(17)18/h2-5,9,11,15H,6-8,13-14H2,1H3/t9?,11-/m0/s1