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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O

InChI

InChI=1S/C16H19N3O4/c1-3-10(2)23-12-6-4-11(5-7-12)15-17-16(22)13(18-19-15)8-9-14(20)21/h4-7,10H,3,8-9H2,1-2H3,(H,20,21)(H,17,19,22)