5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylate IUPAC Name: 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate Formula: C12H10ClN2O2- MolecularWeight: 249.673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])Cl)CC2=CC=CC=C2

InChI

InChI=1S/C12H11ClN2O2/c1-8-10(12(16)17)11(13)15(14-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)/p-1