3-azanyl-5-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)-2,4,6-trimethyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-5-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)-2,4,6-trimethyl-benzenesulfonic acid Openeye Name: 3-amino-5-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)-2,4,6-trimethyl-benzenesulfonic acid CAS Name: 3-amino-5-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)-2,4,6-trimethylbenzenesulfonic acid IUPAC Name: 3-amino-5-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)-2,4,6-trimethylbenzenesulfonic acid Traditional Name: 3-amino-5-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)-2,4,6-trimethyl-besylic acid Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)C2=C(C(=C(C(=C2C)S(=O)(=O)O)C)N)C

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)C2=C(C(=C(C(=C2C)S(=O)(=O)O)C)N)C

InChI

InChI=1S/C15H19N3O6S/c1-5-24-15(20)10-6-11(19)18(17-10)13-7(2)12(16)8(3)14(9(13)4)25(21,22)23/h6,17H,5,16H2,1-4H3,(H,21,22,23)