7-[(5-nitrothiophen-2-yl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(5-nitrothiophen-2-yl)carbonylamino]heptanoic acid Openeye Name: 7-[(5-nitrothiophene-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(5-nitrothiophene-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(5-nitrothiophene-2-carbonyl)amino]enanthic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)[N+](=O)[O-])C(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)[N+](=O)[O-])C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C12H16N2O5S/c15-11(16)5-3-1-2-4-8-13-12(17)9-6-7-10(20-9)14(18)19/h6-7H,1-5,8H2,(H,13,17)(H,15,16)