4-[(4E)-4-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[4-(2-hydroxyethoxy)-3-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[4-(2-hydroxyethoxy)-3-methoxy-benzylidene]-5-keto-3-methyl-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)OCCO)OC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-13-17(11-14-3-8-18(29-10-9-24)19(12-14)28-2)20(25)23(22-13)16-6-4-15(5-7-16)21(26)27/h3-8,11-12,24H,9-10H2,1-2H3,(H,26,27)/b17-11+