ethyl (4Z)-1-[3-(dioxidanylmethyl)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-pyrazole-3-carboxylate

Systemtic Name: ethyl (4Z)-1-[3-(dioxidanylmethyl)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-pyrazole-3-carboxylate Openeye Name: ethyl (4Z)-1-[3-(hydroperoxymethyl)phenyl]-4-[(4-methoxyphenyl)methylene]-5-oxo-pyrazole-3-carboxylate CAS Name: (4Z)-1-[3-(hydroperoxymethyl)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxo-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-1-[3-(hydroperoxymethyl)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxopyrazole-3-carboxylate Traditional Name: (4Z)-1-[3-(hydroperoxymethyl)phenyl]-5-keto-4-p-anisylidene-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CC2=CC=C(C=C2)OC)C3=CC=CC(=C3)COO

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OC)C3=CC=CC(=C3)COO

InChI

InChI=1S/C21H20N2O6/c1-3-28-21(25)19-18(12-14-7-9-17(27-2)10-8-14)20(24)23(22-19)16-6-4-5-15(11-16)13-29-26/h4-12,26H,3,13H2,1-2H3/b18-12-