methyl 2-[(E)-4-azanylbut-3-enyl]benzoate

Systemtic Name: methyl 2-[(E)-4-azanylbut-3-enyl]benzoate Openeye Name: methyl 2-[(E)-4-aminobut-3-enyl]benzoate CAS Name: 2-[(E)-4-aminobut-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-4-aminobut-3-enyl]benzoate Traditional Name: 2-[(E)-4-aminobut-3-enyl]benzoic acid methyl ester Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CCC=CN

Isomeric SMILES

COC(=O)C1=CC=CC=C1CC/C=C/N

InChI

InChI=1S/C12H15NO2/c1-15-12(14)11-8-3-2-6-10(11)7-4-5-9-13/h2-3,5-6,8-9H,4,7,13H2,1H3/b9-5+