2-[4-[(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[4-[(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-ethoxyphenoxy]acetate IUPAC Name: 2-[4-[(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[4-[(Z)-[1-(2-cyanoethyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-phenoxy]acetate Formula: C18H18N3O5- MolecularWeight: 356.35262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)CCC#N)C)OCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)CCC#N)C)OCC(=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-3-25-16-10-13(5-6-15(16)26-11-17(22)23)9-14-12(2)20-21(18(14)24)8-4-7-19/h5-6,9-10H,3-4,8,11H2,1-2H3,(H,22,23)/p-1/b14-9-