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

Systemtic Name: 3-[3-[4-(2-ethoxyethoxy)-3-methoxy-phenyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-[4-(2-ethoxyethoxy)-3-methoxy-phenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-[4-(2-ethoxyethoxy)-3-methoxy-phenyl]-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

Isomeric SMILES

CCOCCOC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

InChI

InChI=1S/C17H21N3O6/c1-3-25-8-9-26-13-6-4-11(10-14(13)24-2)16-18-17(23)12(19-20-16)5-7-15(21)22/h4,6,10H,3,5,7-9H2,1-2H3,(H,21,22)(H,18,20,23)