2-[(3,5-dinitrothiophen-2-yl)amino]propanoic acid

Systemtic Name: 2-[(3,5-dinitrothiophen-2-yl)amino]propanoic acid Openeye Name: 2-[(3,5-dinitro-2-thienyl)amino]propanoic acid CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]propanoic acid IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]propanoic acid Traditional Name: 2-[(3,5-dinitro-2-thienyl)amino]propionic acid Formula: C7H7N3O6S MolecularWeight: 261.21198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O6S/c1-3(7(11)12)8-6-4(9(13)14)2-5(17-6)10(15)16/h2-3,8H,1H3,(H,11,12)