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

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(3,4,5-trimethoxybenzylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-12-16(9-13-10-17(27-2)19(29-4)18(11-13)28-3)20(24)23(22-12)15-7-5-14(6-8-15)21(25)26/h5-11H,1-4H3,(H,25,26)/b16-9-