1-tert-butyl-4-ethoxycarbonyl-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-tert-butyl-4-ethoxycarbonyl-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 1-tert-butyl-4-ethoxycarbonyl-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 1-tert-butyl-4-ethoxycarbonyl-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-4-ethoxycarbonyl-5-phenylpyrazole-3-carboxylic acid Traditional Name: 1-tert-butyl-4-carbethoxy-5-phenyl-pyrazole-3-carboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)O)C(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)O)C(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4/c1-5-23-16(22)12-13(15(20)21)18-19(17(2,3)4)14(12)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,20,21)