2-[(5-nitrothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(5-nitrothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]butyric acid Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC=C(S1)[N+](=O)[O-])O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC=C(S1)[N+](=O)[O-])O

InChI

InChI=1S/C9H10N2O6S/c1-4(12)7(9(14)15)10-8(13)5-2-3-6(18-5)11(16)17/h2-4,7,12H,1H3,(H,10,13)(H,14,15)