3-[3-(3,4-dimethoxyphenyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(E)-3-oxido-3-oxo-prop-1-enyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-4-[(E)-3-keto-3-oxido-prop-1-enyl]pyrazol-1-yl]propionate Formula: C17H16N2O6-2 MolecularWeight: 344.31874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)[O-])CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)[O-])CCC(=O)[O-])OC

InChI

InChI=1S/C17H18N2O6/c1-24-13-5-3-11(9-14(13)25-2)17-12(4-6-15(20)21)10-19(18-17)8-7-16(22)23/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,22,23)/p-2/b6-4+