7-[[2-(4-nitrophenyl)-2-oxidanyl-ethanoyl]amino]-8-oxidanyl-quinoline-5-sulfonic acid

Systemtic Name: 7-[[2-(4-nitrophenyl)-2-oxidanyl-ethanoyl]amino]-8-oxidanyl-quinoline-5-sulfonic acid Openeye Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)acetyl]amino]quinoline-5-sulfonic acid CAS Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)-1-oxoethyl]amino]-5-quinolinesulfonic acid IUPAC Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)acetyl]amino]quinoline-5-sulfonic acid Traditional Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)acetyl]amino]quinoline-5-sulfonic acid Formula: C17H13N3O8S MolecularWeight: 419.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=C2N=C1)O)NC(=O)C(C3=CC=C(C=C3)[N+](=O)[O-])O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C(=C2N=C1)O)NC(=O)C(C3=CC=C(C=C3)[N+](=O)[O-])O)S(=O)(=O)O

InChI

InChI=1S/C17H13N3O8S/c21-15(9-3-5-10(6-4-9)20(24)25)17(23)19-12-8-13(29(26,27)28)11-2-1-7-18-14(11)16(12)22/h1-8,15,21-22H,(H,19,23)(H,26,27,28)