2-[(E,2S)-4-cyano-3-methyl-but-3-en-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(E,2S)-4-cyano-3-methyl-but-3-en-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(E,1S)-3-cyano-1,2-dimethyl-allyloxy]carbonylbenzoic acid CAS Name: 2-[[(E,2S)-4-cyano-3-methylbut-3-en-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(E,2S)-4-cyano-3-methylbut-3-en-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(E,1S)-3-cyano-1,2-dimethyl-allyloxy]carbonylbenzoic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC#N)C)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

C[C@@H](/C(=C/C#N)/C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H13NO4/c1-9(7-8-15)10(2)19-14(18)12-6-4-3-5-11(12)13(16)17/h3-7,10H,1-2H3,(H,16,17)/b9-7+/t10-/m0/s1