methyl (2E,3E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]butanoate

Systemtic Name: methyl (2E,3E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]butanoate Openeye Name: methyl (2E,3E)-3-(tert-butoxycarbonylhydrazono)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)butanoate CAS Name: (2E,3E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]butanoic acid methyl ester IUPAC Name: methyl (2E,3E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]butanoate Traditional Name: (2E,3E)-3-(tert-butoxycarbonylhydrazono)-2-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)butyric acid methyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C(=NNC(=O)OC(C)(C)C)C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C(=N\NC(=O)OC(C)(C)C)\C)/C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C20H24N4O5/c1-12(21-22-19(27)29-20(3,4)5)16(18(26)28-6)15-13(2)23-24(17(15)25)14-10-8-7-9-11-14/h7-11H,1-6H3,(H,22,27)/b16-15+,21-12+