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

Systemtic Name: 2-chloranyl-5-[4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[4-[[4-(diethylamino)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[4-[4-(diethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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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)Cl)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c1-4-25(5-2)16-8-6-15(7-9-16)12-18-14(3)24-26(21(18)27)17-10-11-20(23)19(13-17)22(28)29/h6-13H,4-5H2,1-3H3,(H,28,29)