3-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)benzoate

Systemtic Name: 3-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)benzoate Openeye Name: 3-(4-ethoxycarbonyl-5-methyl-pyrazol-1-yl)benzoate CAS Name: 3-(4-ethoxycarbonyl-5-methyl-1-pyrazolyl)benzoate IUPAC Name: 3-(4-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoate Traditional Name: 3-(4-carbethoxy-5-methyl-pyrazol-1-yl)benzoate Formula: C14H13N2O4- MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C14H14N2O4/c1-3-20-14(19)12-8-15-16(9(12)2)11-6-4-5-10(7-11)13(17)18/h4-8H,3H2,1-2H3,(H,17,18)/p-1