methyl 3-[(E)-2,3-dicyano-3-oxidanyl-prop-1-enyl]benzoate

Systemtic Name: methyl 3-[(E)-2,3-dicyano-3-oxidanyl-prop-1-enyl]benzoate Openeye Name: methyl 3-[(E)-2,3-dicyano-3-hydroxy-prop-1-enyl]benzoate CAS Name: 3-[(E)-2,3-dicyano-3-hydroxyprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-2,3-dicyano-3-hydroxyprop-1-enyl]benzoate Traditional Name: 3-[(E)-2,3-dicyano-3-hydroxy-prop-1-enyl]benzoic acid methyl ester Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C=C(C#N)C(C#N)O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)/C=C(\C#N)/C(C#N)O

InChI

InChI=1S/C13H10N2O3/c1-18-13(17)10-4-2-3-9(5-10)6-11(7-14)12(16)8-15/h2-6,12,16H,1H3/b11-6+