3-(4-chlorophenyl)-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazole-4-carboxylate

Systemtic Name: 3-(4-chlorophenyl)-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazole-4-carboxylate Openeye Name: 3-(4-chlorophenyl)-1-(3-oxido-3-oxo-propyl)pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-(3-oxido-3-oxopropyl)-4-pyrazolecarboxylate IUPAC Name: 3-(4-chlorophenyl)-1-(3-oxido-3-oxopropyl)pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-(3-keto-3-oxido-propyl)pyrazole-4-carboxylate Formula: C13H9ClN2O4-2 MolecularWeight: 292.67456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)[O-])CCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)[O-])CCC(=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O4/c14-9-3-1-8(2-4-9)12-10(13(19)20)7-16(15-12)6-5-11(17)18/h1-4,7H,5-6H2,(H,17,18)(H,19,20)/p-2