methyl 2-[(4Z,5E)-4,5-bis(acetyloxyimino)-1-phenyl-pyrazol-3-yl]-2-methyl-propanoate

Systemtic Name: methyl 2-[(4Z,5E)-4,5-bis(acetyloxyimino)-1-phenyl-pyrazol-3-yl]-2-methyl-propanoate Openeye Name: methyl 2-[(4Z,5E)-4,5-bis(acetoxyimino)-1-phenyl-pyrazol-3-yl]-2-methyl-propanoate CAS Name: 2-[(4Z,5E)-4,5-bis(acetyloxyimino)-1-phenyl-3-pyrazolyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4Z,5E)-4,5-bis(acetyloxyimino)-1-phenylpyrazol-3-yl]-2-methylpropanoate Traditional Name: 2-[(4Z,5E)-4,5-bis(acetyloximino)-1-phenyl-2-pyrazolin-3-yl]-2-methyl-propionic acid methyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C1C(=NN(C1=NOC(=O)C)C2=CC=CC=C2)C(C)(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6/c1-11(23)27-20-14-15(18(3,4)17(25)26-5)19-22(13-9-7-6-8-10-13)16(14)21-28-12(2)24/h6-10H,1-5H3/b20-14-,21-16+