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

Systemtic Name: 7-[[2-(4-nitrophenyl)-2-oxidanyl-ethanoyl]amino]-8-oxidanyl-quinoline-5-sulfonic acid trihydrate Openeye Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)acetyl]amino]quinoline-5-sulfonic acid trihydrate CAS Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)-1-oxoethyl]amino]-5-quinolinesulfonic acid trihydrate IUPAC Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)acetyl]amino]quinoline-5-sulfonic acid trihydrate Traditional Name: 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)acetyl]amino]quinoline-5-sulfonic acid trihydrate Formula: C17H19N3O11S MolecularWeight: 473.41126

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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.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.O.O.O

InChI

InChI=1S/C17H13N3O8S.3H2O/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);3*1H2