4-ethoxycarbonyl-1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-ethoxycarbonyl-5-isobutyl-1-methyl-pyrazole-3-carboxylic acid CAS Name: 4-ethoxycarbonyl-1-methyl-5-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 4-carbethoxy-5-isobutyl-1-methyl-pyrazole-3-carboxylic acid Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)O)C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)O)C)CC(C)C

InChI

InChI=1S/C12H18N2O4/c1-5-18-12(17)9-8(6-7(2)3)14(4)13-10(9)11(15)16/h7H,5-6H2,1-4H3,(H,15,16)