ethyl 4-[[6-[(4-ethoxyphenyl)methyl]-5-oxidanylidene-2H-1,2,4-triazin-3-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[(4-ethoxyphenyl)methyl]-5-oxidanylidene-2H-1,2,4-triazin-3-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[(4-ethoxyphenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]amino]benzoate CAS Name: 4-[[6-[(4-ethoxyphenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(4-ethoxyphenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]amino]benzoate Traditional Name: 4-[[6-(4-ethoxybenzyl)-5-keto-2H-1,2,4-triazin-3-yl]amino]benzoic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H22N4O4/c1-3-28-17-11-5-14(6-12-17)13-18-19(26)23-21(25-24-18)22-16-9-7-15(8-10-16)20(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H2,22,23,25,26)