3-[(4Z)-3-ethoxycarbonyl-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-3-ethoxycarbonyl-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-ethoxycarbonyl-4-[(4-methoxyphenyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-3-ethoxycarbonyl-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-3-ethoxycarbonyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-3-carbethoxy-5-keto-4-p-anisylidene-2-pyrazolin-1-yl]benzoic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6/c1-3-29-21(27)18-17(11-13-7-9-16(28-2)10-8-13)19(24)23(22-18)15-6-4-5-14(12-15)20(25)26/h4-12H,3H2,1-2H3,(H,25,26)/b17-11-