3-[3-[3-(2-methylpropoxy)phenyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[3-[3-(2-methylpropoxy)phenyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(3-isobutoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-[3-(2-methylpropoxy)phenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-[3-(2-methylpropoxy)phenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(3-isobutoxyphenyl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)O

InChI

InChI=1S/C16H19N3O4/c1-10(2)9-23-12-5-3-4-11(8-12)15-17-16(22)13(18-19-15)6-7-14(20)21/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,21)(H,17,19,22)