ethyl (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl (4Z)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: (4Z)-4-[4-(dimethylamino)benzylidene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-4-27-21(26)19-18(14-15-10-12-16(13-11-15)23(2)3)20(25)24(22-19)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/b18-14-