2,6-bis(azanyl)-4-(2,3-dinitrophenyl)hexanoic acid

Systemtic Name: 2,6-bis(azanyl)-4-(2,3-dinitrophenyl)hexanoic acid Openeye Name: 2,6-diamino-4-(2,3-dinitrophenyl)hexanoic acid CAS Name: 2,6-diamino-4-(2,3-dinitrophenyl)hexanoic acid IUPAC Name: 2,6-diamino-4-(2,3-dinitrophenyl)hexanoic acid Traditional Name: 2,6-diamino-4-(2,3-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(CCN)CC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O6/c13-5-4-7(6-9(14)12(17)18)8-2-1-3-10(15(19)20)11(8)16(21)22/h1-3,7,9H,4-6,13-14H2,(H,17,18)