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6-azanyl-2-[(2,4,6-trinitrophenyl)amino]hexanoic acid

6-azanyl-2-[(2,4,6-trinitrophenyl)amino]hexanoic acid

Systemtic Name:6-azanyl-2-[(2,4,6-trinitrophenyl)amino]hexanoic acid
Openeye Name:6-amino-2-(2,4,6-trinitroanilino)hexanoic acid
CAS Name:6-amino-2-(2,4,6-trinitroanilino)hexanoic acid
IUPAC Name:6-amino-2-(2,4,6-trinitroanilino)hexanoic acid
Traditional Name:6-amino-2-(2,4,6-trinitroanilino)hexanoic acid
Formula: C12H15N5O8
MolecularWeight: 357.2762
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H15N5O8/c13-4-2-1-3-8(12(18)19)14-11-9(16(22)23)5-7(15(20)21)6-10(11)17(24)25/h5-6,8,14H,1-4,13H2,(H,18,19)


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