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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=CC=C3C(=O)OCC

InChI

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