3-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxidanylidene-4H-pyridazin-1-yl]benzoic acid

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxidanylidene-4H-pyridazin-1-yl]benzoic acid Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]benzoic acid CAS Name: 3-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]benzoic acid IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]benzoic acid Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-6-keto-5,5-dimethyl-4H-pyridazin-1-yl]benzoic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN(C1=O)C2=CC=CC(=C2)C(=O)O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(CC(=NN(C1=O)C2=CC=CC(=C2)C(=O)O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H22N2O5/c1-21(2)12-16(13-8-9-17(27-3)18(11-13)28-4)22-23(20(21)26)15-7-5-6-14(10-15)19(24)25/h5-11H,12H2,1-4H3,(H,24,25)