(4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylate

Systemtic Name: (4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylate Openeye Name: (4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylate CAS Name: (4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylate IUPAC Name: (4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylate Traditional Name: (4Z)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylate Formula: C21H18N3O6S- MolecularWeight: 440.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19N3O6S/c1-23(2)15-8-6-14(7-9-15)4-3-5-18-19(21(26)27)22-24(20(18)25)16-10-12-17(13-11-16)31(28,29)30/h3-13H,1-2H3,(H,26,27)(H,28,29,30)/p-1/b4-3+,18-5-