sodium [(4E)-4-[(4-aminophenyl)methylidene]-5-oxidanylidene-3-phenoxycarbonyl-pyrazol-1-yl]methanesulfonate

Systemtic Name: sodium [(4E)-4-[(4-aminophenyl)methylidene]-5-oxidanylidene-3-phenoxycarbonyl-pyrazol-1-yl]methanesulfonate Openeye Name: sodium [(4E)-4-[(4-aminophenyl)methylene]-5-oxo-3-phenoxycarbonyl-pyrazol-1-yl]methanesulfonate CAS Name: sodium [(4E)-4-[(4-aminophenyl)methylidene]-5-oxo-3-[oxo(phenoxy)methyl]-1-pyrazolyl]methanesulfonate IUPAC Name: sodium [(4E)-4-[(4-aminophenyl)methylidene]-5-oxo-3-phenoxycarbonylpyrazol-1-yl]methanesulfonate Traditional Name: sodium [(4E)-4-(4-aminobenzylidene)-3-carbophenoxy-5-keto-2-pyrazolin-1-yl]methanesulfonate Formula: C18H14N3NaO6S MolecularWeight: 423.37503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C2=CC3=CC=C(C=C3)N)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C\2=NN(C(=O)/C2=C/C3=CC=C(C=C3)N)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H15N3O6S.Na/c19-13-8-6-12(7-9-13)10-15-16(18(23)27-14-4-2-1-3-5-14)20-21(17(15)22)11-28(24,25)26;/h1-10H,11,19H2,(H,24,25,26);/q;+1/p-1/b15-10+;