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

Systemtic Name: 3-[3-(4-but-3-enoxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(4-but-3-enoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-(4-but-3-enoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-(4-but-3-enoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(4-but-3-enoxyphenyl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O

Isomeric SMILES

C=CCCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O

InChI

InChI=1S/C16H17N3O4/c1-2-3-10-23-12-6-4-11(5-7-12)15-17-16(22)13(18-19-15)8-9-14(20)21/h2,4-7H,1,3,8-10H2,(H,20,21)(H,17,19,22)