ethyl 4-[4-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3,5-dioxo-pyrazolidin-1-yl]benzoate CAS Name: 4-[4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate Traditional Name: 4-[4-(3-ethoxy-4-hydroxy-benzylidene)-3,5-diketo-pyrazolidin-1-yl]benzoic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C21H20N2O6/c1-3-28-18-12-13(5-10-17(18)24)11-16-19(25)22-23(20(16)26)15-8-6-14(7-9-15)21(27)29-4-2/h5-12,24H,3-4H2,1-2H3,(H,22,25)