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

Systemtic Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-(5-keto-3-veratryl-2H-1,2,4-triazin-6-yl)propionic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=O)C(=NN2)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=O)C(=NN2)CCC(=O)O)OC

InChI

InChI=1S/C15H17N3O5/c1-22-11-5-3-9(7-12(11)23-2)8-13-16-15(21)10(17-18-13)4-6-14(19)20/h3,5,7H,4,6,8H2,1-2H3,(H,19,20)(H,16,18,21)