2-azanyl-4-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 2-amino-4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 2-amino-4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 2-amino-4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 2-amino-4-(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=CC(=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

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

InChI

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