2-azanyl-3-(4-cyano-2-ethanoyl-phenyl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-cyano-2-ethanoyl-phenyl)propanoic acid Openeye Name: 3-(2-acetyl-4-cyano-phenyl)-2-amino-propanoic acid CAS Name: 3-(2-acetyl-4-cyanophenyl)-2-aminopropanoic acid IUPAC Name: 3-(2-acetyl-4-cyanophenyl)-2-aminopropanoic acid Traditional Name: 3-(2-acetyl-4-cyano-phenyl)-2-amino-propionic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c1-7(15)10-4-8(6-13)2-3-9(10)5-11(14)12(16)17/h2-4,11H,5,14H2,1H3,(H,16,17)