2-azanyl-3-oxidanylidene-3-[4-(prop-2-ynylamino)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-3-[4-(prop-2-ynylamino)phenyl]propanoic acid Openeye Name: 2-amino-3-oxo-3-[4-(prop-2-ynylamino)phenyl]propanoic acid CAS Name: 2-amino-3-oxo-3-[4-(prop-2-ynylamino)phenyl]propanoic acid IUPAC Name: 2-amino-3-oxo-3-[4-(prop-2-ynylamino)phenyl]propanoic acid Traditional Name: 2-amino-3-keto-3-[4-(propargylamino)phenyl]propionic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC=C(C=C1)C(=O)C(C(=O)O)N

Isomeric SMILES

C#CCNC1=CC=C(C=C1)C(=O)C(C(=O)O)N

InChI

InChI=1S/C12H12N2O3/c1-2-7-14-9-5-3-8(4-6-9)11(15)10(13)12(16)17/h1,3-6,10,14H,7,13H2,(H,16,17)