(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: (4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: (4E)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: (4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: (4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: (4E)-4-[4-(dimethylamino)benzylidene]-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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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)/b16-11+