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

Systemtic Name: 3-methyl-2-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]butyric acid Formula: C10H12N2O5S MolecularWeight: 272.27768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5S/c1-5(2)8(10(14)15)11-9(13)6-3-4-7(18-6)12(16)17/h3-5,8H,1-2H3,(H,11,13)(H,14,15)