3-[4-(2,2-dicyanoethenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methoxyphenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(4-methoxyphenyl)pyrazol-1-yl]propionate Formula: C17H13N4O3- MolecularWeight: 321.31012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3/c1-24-15-4-2-13(3-5-15)17-14(8-12(9-18)10-19)11-21(20-17)7-6-16(22)23/h2-5,8,11H,6-7H2,1H3,(H,22,23)/p-1