4-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[4-(diethylamino)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[4-(diethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-4-24(5-2)18-10-6-16(7-11-18)14-20-15(3)23-25(21(20)26)19-12-8-17(9-13-19)22(27)28/h6-14H,4-5H2,1-3H3,(H,27,28)/b20-14-