ethyl 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(3-ethoxy-4-propargyloxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C)OCC#C

InChI

InChI=1S/C25H24N2O5/c1-5-14-32-22-13-8-18(16-23(22)30-6-2)15-21-17(4)26-27(24(21)28)20-11-9-19(10-12-20)25(29)31-7-3/h1,8-13,15-16H,6-7,14H2,2-4H3/b21-15-