(4E)-5-oxidanylidene-4-(phenylazanylmethylidene)-1-(4-sulfonatophenyl)pyrazole-3-carboxylate

Systemtic Name: (4E)-5-oxidanylidene-4-(phenylazanylmethylidene)-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Openeye Name: (4E)-4-(anilinomethylene)-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate CAS Name: (4E)-4-(anilinomethylidene)-5-oxo-1-(4-sulfonatophenyl)-3-pyrazolecarboxylate IUPAC Name: (4E)-4-(anilinomethylidene)-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Traditional Name: (4E)-4-(anilinomethylene)-5-keto-1-(4-sulfonatophenyl)-2-pyrazoline-3-carboxylate Formula: C17H11N3O6S-2 MolecularWeight: 385.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6S/c21-16-14(10-18-11-4-2-1-3-5-11)15(17(22)23)19-20(16)12-6-8-13(9-7-12)27(24,25)26/h1-10,18H,(H,22,23)(H,24,25,26)/p-2/b14-10+