2-ethoxy-5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid

Systemtic Name: 2-ethoxy-5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid Openeye Name: 2-ethoxy-5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid CAS Name: 2-ethoxy-5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzoic acid IUPAC Name: 2-ethoxy-5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoic acid Traditional Name: 2-ethoxy-5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-3-26-18-10-9-14(12-17(18)20(24)25)11-16-13(2)21-22(19(16)23)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,24,25)/b16-11+