4-[(4Z)-4-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[4-(2-amino-2-oxo-ethoxy)-3-ethoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[4-(2-amino-2-keto-ethoxy)-3-ethoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC(=O)N

InChI

InChI=1S/C22H21N3O6/c1-3-30-19-11-14(4-9-18(19)31-12-20(23)26)10-17-13(2)24-25(21(17)27)16-7-5-15(6-8-16)22(28)29/h4-11H,3,12H2,1-2H3,(H2,23,26)(H,28,29)/b17-10-