(2S)-N1-[2-(2-azanylethylamino)ethyl]-3-(4-nitrophenyl)propane-1,2-diamine

Systemtic Name: (2S)-N1-[2-(2-azanylethylamino)ethyl]-3-(4-nitrophenyl)propane-1,2-diamine Openeye Name: (2S)-N1-[2-(2-aminoethylamino)ethyl]-3-(4-nitrophenyl)propane-1,2-diamine CAS Name: (2S)-N1-[2-(2-aminoethylamino)ethyl]-3-(4-nitrophenyl)propane-1,2-diamine IUPAC Name: (2S)-1-N-[2-(2-aminoethylamino)ethyl]-3-(4-nitrophenyl)propane-1,2-diamine Traditional Name: 2-aminoethyl-[2-[[(2S)-2-amino-3-(4-nitrophenyl)propyl]amino]ethyl]amine Formula: C13H23N5O2 MolecularWeight: 281.35402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CNCCNCCN)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](CNCCNCCN)N)[N+](=O)[O-]

InChI

InChI=1S/C13H23N5O2/c14-5-6-16-7-8-17-10-12(15)9-11-1-3-13(4-2-11)18(19)20/h1-4,12,16-17H,5-10,14-15H2/t12-/m0/s1