4-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 4-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid CAS Name: 4-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 4-[(5-nitrothiophene-2-carbonyl)amino]butyric acid Formula: C9H10N2O5S MolecularWeight: 258.2511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O5S/c12-8(13)2-1-5-10-9(14)6-3-4-7(17-6)11(15)16/h3-4H,1-2,5H2,(H,10,14)(H,12,13)