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

Systemtic Name: 3,3-dimethyl-2-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[(5-nitrothiophene-2-carbonyl)amino]butyric acid Formula: C11H14N2O5S MolecularWeight: 286.30426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5S/c1-11(2,3)8(10(15)16)12-9(14)6-4-5-7(19-6)13(17)18/h4-5,8H,1-3H3,(H,12,14)(H,15,16)