2-(4-cyanophenyl)carbonyl-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-(4-cyanophenyl)carbonyl-4,5-dimethoxy-benzoic acid Openeye Name: 2-(4-cyanobenzoyl)-4,5-dimethoxy-benzoic acid CAS Name: 2-[(4-cyanophenyl)-oxomethyl]-4,5-dimethoxybenzoic acid IUPAC Name: 2-(4-cyanobenzoyl)-4,5-dimethoxybenzoic acid Traditional Name: 2-(4-cyanobenzoyl)-4,5-dimethoxy-benzoic acid Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)O)OC

InChI

InChI=1S/C17H13NO5/c1-22-14-7-12(13(17(20)21)8-15(14)23-2)16(19)11-5-3-10(9-18)4-6-11/h3-8H,1-2H3,(H,20,21)