4-[5-(C-carboxy-N-oxidanyl-carbonimidoyl)-3-nitro-thiophen-2-yl]butanoic acid

Systemtic Name: 4-[5-(C-carboxy-N-oxidanyl-carbonimidoyl)-3-nitro-thiophen-2-yl]butanoic acid Openeye Name: 4-[5-(C-carboxy-N-hydroxy-carbonimidoyl)-3-nitro-2-thienyl]butanoic acid CAS Name: 4-[5-(2-hydroxy-1-hydroxyimino-2-oxoethyl)-3-nitro-2-thiophenyl]butanoic acid IUPAC Name: 4-[5-(C-carboxy-N-hydroxycarbonimidoyl)-3-nitrothiophen-2-yl]butanoic acid Traditional Name: 4-[5-(2-hydroxy-2-keto-acetohydroximoyl)-3-nitro-2-thienyl]butyric acid Formula: C10H10N2O7S MolecularWeight: 302.2606

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1[N+](=O)[O-])CCCC(=O)O)C(=NO)C(=O)O

Isomeric SMILES

C1=C(SC(=C1[N+](=O)[O-])CCCC(=O)O)C(=NO)C(=O)O

InChI

InChI=1S/C10H10N2O7S/c13-8(14)3-1-2-6-5(12(18)19)4-7(20-6)9(11-17)10(15)16/h4,17H,1-3H2,(H,13,14)(H,15,16)