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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O6/c13-6-2-1-5-12(14,11(17)18)9-4-3-8(15(19)20)7-10(9)16(21)22/h3-4,7H,1-2,5-6,13-14H2,(H,17,18)