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

Systemtic Name: 3-[3-(4-methoxyphenyl)-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazol-4-yl]propanoate Openeye Name: 3-[3-(4-methoxyphenyl)-1-(3-oxido-3-oxo-propyl)pyrazol-4-yl]propanoate CAS Name: 3-[3-(4-methoxyphenyl)-1-(3-oxido-3-oxopropyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-methoxyphenyl)-1-(3-oxido-3-oxopropyl)pyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-keto-3-oxido-propyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propionate Formula: C16H16N2O5-2 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-23-13-5-2-11(3-6-13)16-12(4-7-14(19)20)10-18(17-16)9-8-15(21)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,19,20)(H,21,22)/p-2