(4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylate

Systemtic Name: (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylate Openeye Name: (4Z)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylate CAS Name: (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylate IUPAC Name: (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylate Traditional Name: (4Z)-4-[4-(dimethylamino)benzylidene]-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylate Formula: C19H16N3O6S- MolecularWeight: 414.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c1-21(2)13-5-3-12(4-6-13)11-16-17(19(24)25)20-22(18(16)23)14-7-9-15(10-8-14)29(26,27)28/h3-11H,1-2H3,(H,24,25)(H,26,27,28)/p-1/b16-11-