5-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(4-nitrobenzyl)thio]acetyl]amino]isophthalic acid Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c20-15(9-27-8-10-1-3-14(4-2-10)19(25)26)18-13-6-11(16(21)22)5-12(7-13)17(23)24/h1-7H,8-9H2,(H,18,20)(H,21,22)(H,23,24)