[3-[4-(4-methoxycarbonyl-1,2,3-triazol-1-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [3-[4-(4-methoxycarbonyl-1,2,3-triazol-1-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [2-hydroxy-1-[[4-(4-methoxycarbonyltriazol-1-yl)phenyl]methyl]-2-oxo-ethyl]ammonium CAS Name: [1-hydroxy-3-[4-(4-methoxycarbonyl-1-triazolyl)phenyl]-1-oxopropan-2-yl]ammonium IUPAC Name: [1-hydroxy-3-[4-(4-methoxycarbonyltriazol-1-yl)phenyl]-1-oxopropan-2-yl]azanium Traditional Name: [1-[4-(4-carbomethoxytriazol-1-yl)benzyl]-2-hydroxy-2-keto-ethyl]ammonium Formula: C13H15N4O4+ MolecularWeight: 291.2826

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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)[NH3+]

Isomeric SMILES

COC(=O)C1=CN(N=N1)C2=CC=C(C=C2)CC(C(=O)O)[NH3+]

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)/p+1