5-oxidanylidene-4-(phenylazanylmethylidene)-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-(phenylazanylmethylidene)-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: 4-(anilinomethylene)-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: 4-(anilinomethylidene)-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(anilinomethylidene)-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(anilinomethylene)-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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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)NC=C2C(=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)