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

Systemtic Name: ethyl 4-[(4E)-3-methyl-5-oxidanylidene-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-5-keto-3-methyl-4-[(E)-3-phenylprop-2-enylidene]-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3/c1-3-27-22(26)18-12-14-19(15-13-18)24-21(25)20(16(2)23-24)11-7-10-17-8-5-4-6-9-17/h4-15H,3H2,1-2H3/b10-7+,20-11+