2-azanyl-3-[4-(4-methoxycarbonyl-1,2,3-triazol-1-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(4-methoxycarbonyl-1,2,3-triazol-1-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-methoxycarbonyltriazol-1-yl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-methoxycarbonyl-1-triazolyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-methoxycarbonyltriazol-1-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-carbomethoxytriazol-1-yl)phenyl]propionic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=N1)C2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

COC(=O)C1=CN(N=N1)C2=CC=C(C=C2)CC(C(=O)O)N

InChI

InChI=1S/C13H14N4O4/c1-21-13(20)11-7-17(16-15-11)9-4-2-8(3-5-9)6-10(14)12(18)19/h2-5,7,10H,6,14H2,1H3,(H,18,19)