4-[1-cyano-2-(6-methyl-1,3-benzodioxol-5-yl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(6-methyl-1,3-benzodioxol-5-yl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(6-methyl-1,3-benzodioxol-5-yl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(6-methyl-1,3-benzodioxol-5-yl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(6-methyl-1,3-benzodioxol-5-yl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(6-methyl-1,3-benzodioxol-5-yl)vinyl]benzoic acid Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C=C(C#N)C3=CC=C(C=C3)C(=O)O)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C=C(C#N)C3=CC=C(C=C3)C(=O)O)OCO2

InChI

InChI=1S/C18H13NO4/c1-11-6-16-17(23-10-22-16)8-14(11)7-15(9-19)12-2-4-13(5-3-12)18(20)21/h2-8H,10H2,1H3,(H,20,21)