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

Systemtic Name: [(4E)-4-[(4-aminophenyl)methylidene]-5-oxidanylidene-3-phenoxycarbonyl-pyrazol-1-yl]methanesulfonic acid Openeye Name: [(4E)-4-[(4-aminophenyl)methylene]-5-oxo-3-phenoxycarbonyl-pyrazol-1-yl]methanesulfonic acid CAS Name: [(4E)-4-[(4-aminophenyl)methylidene]-5-oxo-3-[oxo(phenoxy)methyl]-1-pyrazolyl]methanesulfonic acid IUPAC Name: [(4E)-4-[(4-aminophenyl)methylidene]-5-oxo-3-phenoxycarbonylpyrazol-1-yl]methanesulfonic acid Traditional Name: [(4E)-4-(4-aminobenzylidene)-3-carbophenoxy-5-keto-2-pyrazolin-1-yl]methanesulfonic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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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

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

InChI

InChI=1S/C18H15N3O6S/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)/b15-10+