3-methyl-5-(2-oxidanylidenepropyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-methyl-5-(2-oxidanylidenepropyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 5-acetonyl-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-methyl-5-(2-oxopropyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-methyl-5-(2-oxopropyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-acetonyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-9(17)8-12-13(14(18)19)10(2)15-16(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19)/p-1