propan-2-yl 4-[(4E)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoate

Systemtic Name: propan-2-yl 4-[(4E)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoate Openeye Name: isopropyl 4-[(4E)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoate CAS Name: 4-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoate Traditional Name: 4-[(4E)-5-keto-3-methylene-4-vanillylidene-pyrazolidin-1-yl]benzoic acid isopropyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)OC)C(=C)N2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C(=C)N2

InChI

InChI=1S/C22H22N2O5/c1-13(2)29-22(27)16-6-8-17(9-7-16)24-21(26)18(14(3)23-24)11-15-5-10-19(25)20(12-15)28-4/h5-13,23,25H,3H2,1-2,4H3/b18-11+