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

Systemtic Name: 2,6-bis(azanyl)-4-(2,4-dinitrophenyl)hexanoic acid Openeye Name: 2,6-diamino-4-(2,4-dinitrophenyl)hexanoic acid CAS Name: 2,6-diamino-4-(2,4-dinitrophenyl)hexanoic acid IUPAC Name: 2,6-diamino-4-(2,4-dinitrophenyl)hexanoic acid Traditional Name: 2,6-diamino-4-(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(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/c13-4-3-7(5-10(14)12(17)18)9-2-1-8(15(19)20)6-11(9)16(21)22/h1-2,6-7,10H,3-5,13-14H2,(H,17,18)