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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-allyloxy-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-allyloxy-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4/c1-2-7-19-14(18)12(9-15)8-10-3-5-11(6-4-10)13(16)17/h2-6,8H,1,7H2,(H,16,17)/b12-8+