2-[3-ethyl-5-[(E)-hydroxyiminomethyl]-2-nitro-2H-thiophen-3-yl]ethanoic acid

Systemtic Name: 2-[3-ethyl-5-[(E)-hydroxyiminomethyl]-2-nitro-2H-thiophen-3-yl]ethanoic acid Openeye Name: 2-[3-ethyl-5-[(E)-hydroxyiminomethyl]-2-nitro-2H-thiophen-3-yl]acetic acid CAS Name: 2-[3-ethyl-5-[(E)-hydroxyiminomethyl]-2-nitro-2H-thiophen-3-yl]acetic acid IUPAC Name: 2-[3-ethyl-5-[(E)-hydroxyiminomethyl]-2-nitro-2H-thiophen-3-yl]acetic acid Traditional Name: 2-[3-ethyl-5-[(E)-hydroximinomethyl]-2-nitro-2H-thiophen-3-yl]acetic acid Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(SC1[N+](=O)[O-])C=NO)CC(=O)O

Isomeric SMILES

CCC1(C=C(SC1[N+](=O)[O-])/C=N/O)CC(=O)O

InChI

InChI=1S/C9H12N2O5S/c1-2-9(4-7(12)13)3-6(5-10-14)17-8(9)11(15)16/h3,5,8,14H,2,4H2,1H3,(H,12,13)/b10-5+