5-[(4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4-nitrophenyl)thiocarbamoylamino]isophthalic acid Formula: C15H11N3O6S MolecularWeight: 361.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O6S/c19-13(20)8-5-9(14(21)22)7-11(6-8)17-15(25)16-10-1-3-12(4-2-10)18(23)24/h1-7H,(H,19,20)(H,21,22)(H2,16,17,25)