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

Systemtic Name: 3-[3-(4-butoxy-3-methoxy-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(4-butoxy-3-methoxy-phenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-(4-butoxy-3-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-(4-butoxy-3-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(4-butoxy-3-methoxy-phenyl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

InChI

InChI=1S/C17H21N3O5/c1-3-4-9-25-13-7-5-11(10-14(13)24-2)16-18-17(23)12(19-20-16)6-8-15(21)22/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,21,22)(H,18,20,23)