4-[[[(E)-but-2-enoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[(E)-but-2-enoyl]amino]methyl]benzoate Openeye Name: 4-[[[(E)-but-2-enoyl]amino]methyl]benzoate CAS Name: 4-[[[(E)-1-oxobut-2-enyl]amino]methyl]benzoate IUPAC Name: 4-[[[(E)-but-2-enoyl]amino]methyl]benzoate Traditional Name: 4-[[[(E)-but-2-enoyl]amino]methyl]benzoate Formula: C12H12NO3- MolecularWeight: 218.22858

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C/C=C/C(=O)NCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H13NO3/c1-2-3-11(14)13-8-9-4-6-10(7-5-9)12(15)16/h2-7H,8H2,1H3,(H,13,14)(H,15,16)/p-1/b3-2+