4-[5-[(E)-C-carboxylato-N-oxidanyl-carbonimidoyl]-3-nitro-thiophen-2-yl]butanoate

Systemtic Name: 4-[5-[(E)-C-carboxylato-N-oxidanyl-carbonimidoyl]-3-nitro-thiophen-2-yl]butanoate Openeye Name: 4-[5-[(E)-C-carboxylato-N-hydroxy-carbonimidoyl]-3-nitro-2-thienyl]butanoate CAS Name: 4-[5-[(1E)-1-hydroxyimino-2-oxido-2-oxoethyl]-3-nitro-2-thiophenyl]butanoate IUPAC Name: 4-[5-[(E)-C-carboxylato-N-hydroxycarbonimidoyl]-3-nitrothiophen-2-yl]butanoate Traditional Name: 4-[5-(2-keto-2-oxido-acetohydroximoyl)-3-nitro-2-thienyl]butyrate Formula: C10H8N2O7S-2 MolecularWeight: 300.24472

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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(=N/O)/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)/p-2/b11-9-