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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

InChI

InChI=1S/C15H17N3O5/c1-3-23-11-6-4-9(8-12(11)22-2)14-16-15(21)10(17-18-14)5-7-13(19)20/h4,6,8H,3,5,7H2,1-2H3,(H,19,20)(H,16,18,21)