methyl 2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4E)-4-[4-(dimethylamino)benzylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-23(2)16-11-9-15(10-12-16)13-18-19(14-20(25)27-3)22-24(21(18)26)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b18-13+