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4-[1-cyano-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid

4-[1-cyano-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid

Systemtic Name:4-[1-cyano-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid
Openeye Name:4-[1-cyano-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]benzoic acid
CAS Name:4-[1-cyano-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid
IUPAC Name:4-[1-cyano-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid
Traditional Name:4-[1-cyano-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]benzoic acid
Formula: C18H13NO5
MolecularWeight: 323.29952
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C#N)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C=C(C#N)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C18H13NO5/c1-22-15-7-11(8-16-17(15)24-10-23-16)6-14(9-19)12-2-4-13(5-3-12)18(20)21/h2-8H,10H2,1H3,(H,20,21)


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