(4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: (4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: (4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-phenyl-pyrazole-3-carboxylic acid CAS Name: (4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: (4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid Traditional Name: (4E)-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-23(2)16-13-11-15(12-14-16)7-6-10-18-19(21(26)27)22-24(20(18)25)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,26,27)/b7-6+,18-10+