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

Systemtic Name: 2-[(3,5-dinitrothiophen-2-yl)amino]pentanedioic acid Openeye Name: 2-[(3,5-dinitro-2-thienyl)amino]pentanedioic acid CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]pentanedioic acid IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]pentanedioic acid Traditional Name: 2-[(3,5-dinitro-2-thienyl)amino]glutaric acid Formula: C9H9N3O8S MolecularWeight: 319.24806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O8S/c13-7(14)2-1-4(9(15)16)10-8-5(11(17)18)3-6(21-8)12(19)20/h3-4,10H,1-2H2,(H,13,14)(H,15,16)