3-[3-(4-chlorophenyl)-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazol-4-yl]propanoate

Systemtic Name: 3-[3-(4-chlorophenyl)-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazol-4-yl]propanoate Openeye Name: 3-[3-(4-chlorophenyl)-1-(3-oxido-3-oxo-propyl)pyrazol-4-yl]propanoate CAS Name: 3-[3-(4-chlorophenyl)-1-(3-oxido-3-oxopropyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-chlorophenyl)-1-(3-oxido-3-oxopropyl)pyrazol-4-yl]propanoate Traditional Name: 3-[3-(4-chlorophenyl)-1-(3-keto-3-oxido-propyl)pyrazol-4-yl]propionate Formula: C15H13ClN2O4-2 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2CCC(=O)[O-])CCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2CCC(=O)[O-])CCC(=O)[O-])Cl

InChI

InChI=1S/C15H15ClN2O4/c16-12-4-1-10(2-5-12)15-11(3-6-13(19)20)9-18(17-15)8-7-14(21)22/h1-2,4-5,9H,3,6-8H2,(H,19,20)(H,21,22)/p-2