2-[2-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]phenoxy]acetic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=CC=C1OCC(=O)O)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=CC=C1OCC(=O)O)/C#N

InChI

InChI=1S/C16H17NO4/c1-16(2,3)15(20)12(9-17)8-11-6-4-5-7-13(11)21-10-14(18)19/h4-8H,10H2,1-3H3,(H,18,19)/b12-8+