5-azanyl-2-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 5-amino-2-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 5-amino-2-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 5-amino-2-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 5-amino-2-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)besylic acid Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)C2=C(C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)C2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C12H13N3O6S/c1-2-21-12(17)8-6-11(16)15(14-8)9-4-3-7(13)5-10(9)22(18,19)20/h3-6,14H,2,13H2,1H3,(H,18,19,20)