5-[[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-nitro-4-(3-pyridylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[3-nitro-4-(3-pyridinylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-nitro-4-(3-pyridylmethylamino)phenyl]sulfonylamino]isophthalic acid Formula: C20H16N4O8S MolecularWeight: 472.42804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O8S/c25-19(26)13-6-14(20(27)28)8-15(7-13)23-33(31,32)16-3-4-17(18(9-16)24(29)30)22-11-12-2-1-5-21-10-12/h1-10,22-23H,11H2,(H,25,26)(H,27,28)