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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5S/c1-3-6(2)9(11(15)16)12-10(14)7-4-5-8(19-7)13(17)18/h4-6,9H,3H2,1-2H3,(H,12,14)(H,15,16)