2-(dimethylcarbamoyl)-4-ethoxycarbonyl-pyrazole-3-sulfinic acid

Systemtic Name: 2-(dimethylcarbamoyl)-4-ethoxycarbonyl-pyrazole-3-sulfinic acid Openeye Name: 2-(dimethylcarbamoyl)-4-ethoxycarbonyl-pyrazole-3-sulfinic acid CAS Name: 2-[dimethylamino(oxo)methyl]-4-ethoxycarbonyl-3-pyrazolesulfinic acid IUPAC Name: 2-(dimethylcarbamoyl)-4-ethoxycarbonylpyrazole-3-sulfinic acid Traditional Name: 4-carbethoxy-2-(dimethylcarbamoyl)pyrazole-3-sulfinic acid Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=O)N(C)C)S(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C(=O)N(C)C)S(=O)O

InChI

InChI=1S/C9H13N3O5S/c1-4-17-8(13)6-5-10-12(7(6)18(15)16)9(14)11(2)3/h5H,4H2,1-3H3,(H,15,16)