methyl 2-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]propanoate

Systemtic Name: methyl 2-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]propanoate Openeye Name: methyl 2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanoate CAS Name: 2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanoate Traditional Name: 2-[4-(5-keto-1H-1,2,4-triazol-4-yl)phenyl]propionic acid methyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NNC2=O)C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NNC2=O)C(=O)OC

InChI

InChI=1S/C12H13N3O3/c1-8(11(16)18-2)9-3-5-10(6-4-9)15-7-13-14-12(15)17/h3-8H,1-2H3,(H,14,17)