2-[(5-nitrothiophen-2-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(5-nitrothiophen-2-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(5-nitrothiophene-2-carbonyl)amino]terephthalic acid CAS Name: 2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(5-nitrothiophene-2-carbonyl)amino]terephthalic acid Traditional Name: 2-[(5-nitrothiophene-2-carbonyl)amino]terephthalic acid Formula: C13H8N2O7S MolecularWeight: 336.27682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H8N2O7S/c16-11(9-3-4-10(23-9)15(21)22)14-8-5-6(12(17)18)1-2-7(8)13(19)20/h1-5H,(H,14,16)(H,17,18)(H,19,20)