4-[(5-nitrothiophen-2-yl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(5-nitrothiophen-2-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid CAS Name: 2-hydroxy-4-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid Formula: C12H8N2O6S MolecularWeight: 308.26672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=CC=C(S2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=CC=C(S2)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C12H8N2O6S/c15-8-5-6(1-2-7(8)12(17)18)13-11(16)9-3-4-10(21-9)14(19)20/h1-5,15H,(H,13,16)(H,17,18)