ethyl 4-[(4E)-3-methyl-4-[(5-methylfuran-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4E)-3-methyl-4-[(5-methylfuran-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-3-methyl-4-[(5-methyl-2-furyl)methylene]-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-3-methyl-4-[(5-methyl-2-furanyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-3-methyl-4-[(5-methylfuran-2-yl)methylidene]-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-5-keto-3-methyl-4-[(5-methyl-2-furyl)methylene]-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C)C(=N2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C)/C(=N2)C

InChI

InChI=1S/C19H18N2O4/c1-4-24-19(23)14-6-8-15(9-7-14)21-18(22)17(13(3)20-21)11-16-10-5-12(2)25-16/h5-11H,4H2,1-3H3/b17-11+