2-[2-(4-nitrophenyl)sulfanylpropanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylpropanoylamino]terephthalic acid Openeye Name: 2-[2-(4-nitrophenyl)sulfanylpropanoylamino]terephthalic acid CAS Name: 2-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[2-(4-nitrophenyl)sulfanylpropanoylamino]terephthalic acid Traditional Name: 2-[2-[(4-nitrophenyl)thio]propanoylamino]terephthalic acid Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c1-9(27-12-5-3-11(4-6-12)19(25)26)15(20)18-14-8-10(16(21)22)2-7-13(14)17(23)24/h2-9H,1H3,(H,18,20)(H,21,22)(H,23,24)