4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-ethyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-ethyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylene]-3-ethyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-ethyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-ethyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[4-(dimethylamino)benzylidene]-3-ethyl-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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