2-[4-(but-3-enoylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(but-3-enoylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(but-3-enoylamino)phenyl]acetic acid CAS Name: 2-[4-(1-oxobut-3-enylamino)phenyl]acetic acid IUPAC Name: 2-[4-(but-3-enoylamino)phenyl]acetic acid Traditional Name: 2-[4-(but-3-enoylamino)phenyl]acetic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

C=CCC(=O)NC1=CC=C(C=C1)CC(=O)O

InChI

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