3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]-5-sulfinooxy-benzenesulfonic acid

Systemtic Name: 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]-5-sulfinooxy-benzenesulfonic acid Openeye Name: 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylene]-5-oxo-pyrazol-1-yl]-5-sulfinooxy-benzenesulfonic acid CAS Name: 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxo-1-pyrazolyl]-5-sulfinooxybenzenesulfonic acid IUPAC Name: 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxopyrazol-1-yl]-5-sulfinooxybenzenesulfonic acid Traditional Name: 3-[(4Z)-3-carbomethoxy-5-keto-4-[4-(methylamino)benzylidene]-2-pyrazolin-1-yl]-5-sulfinooxy-besylic acid Formula: C19H17N3O9S2 MolecularWeight: 495.48298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=CC(=C3)S(=O)(=O)O)OS(=O)O)C(=O)OC

Isomeric SMILES

CNC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC(=CC(=C3)S(=O)(=O)O)OS(=O)O)C(=O)OC

InChI

InChI=1S/C19H17N3O9S2/c1-20-12-5-3-11(4-6-12)7-16-17(19(24)30-2)21-22(18(16)23)13-8-14(31-32(25)26)10-15(9-13)33(27,28)29/h3-10,20H,1-2H3,(H,25,26)(H,27,28,29)/b16-7-