4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]benzoic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4/c1-9(2)19-14(18)12(8-15)7-10-3-5-11(6-4-10)13(16)17/h3-7,9H,1-2H3,(H,16,17)/b12-7+