(2S)-2,6-bis(azanyl)-6-(2,4-dinitrophenyl)hexanoic acid

Systemtic Name: (2S)-2,6-bis(azanyl)-6-(2,4-dinitrophenyl)hexanoic acid Openeye Name: (2S)-2,6-diamino-6-(2,4-dinitrophenyl)hexanoic acid CAS Name: (2S)-2,6-diamino-6-(2,4-dinitrophenyl)hexanoic acid IUPAC Name: (2S)-2,6-diamino-6-(2,4-dinitrophenyl)hexanoic acid Traditional Name: (2S)-2,6-diamino-6-(2,4-dinitrophenyl)hexanoic acid Formula: C12H16N4O6 MolecularWeight: 312.27864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O6/c13-9(2-1-3-10(14)12(17)18)8-5-4-7(15(19)20)6-11(8)16(21)22/h4-6,9-10H,1-3,13-14H2,(H,17,18)/t9?,10-/m0/s1