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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O5S/c1-2-5(9(13)14)10-8(12)6-3-4-7(17-6)11(15)16/h3-5H,2H2,1H3,(H,10,12)(H,13,14)