2-[6-(4-cyanophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid

Systemtic Name: 2-[6-(4-cyanophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-(4-cyanobenzoyl)-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-[(4-cyanophenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-(4-cyanobenzoyl)-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-[6-(4-cyanobenzoyl)-1,3-benzodioxol-5-yl]acetic acid Formula: C17H11NO5 MolecularWeight: 309.27294

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H11NO5/c18-8-10-1-3-11(4-2-10)17(21)13-7-15-14(22-9-23-15)5-12(13)6-16(19)20/h1-5,7H,6,9H2,(H,19,20)