ethyl 4-[6-cyano-3-ethoxy-5-oxidanylidene-4-(phenylmethyl)-3H-1,2,4-triazin-2-yl]benzoate

Systemtic Name: ethyl 4-[6-cyano-3-ethoxy-5-oxidanylidene-4-(phenylmethyl)-3H-1,2,4-triazin-2-yl]benzoate Openeye Name: ethyl 4-(4-benzyl-6-cyano-3-ethoxy-5-oxo-3H-1,2,4-triazin-2-yl)benzoate CAS Name: 4-[6-cyano-3-ethoxy-5-oxo-4-(phenylmethyl)-3H-1,2,4-triazin-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzyl-6-cyano-3-ethoxy-5-oxo-3H-1,2,4-triazin-2-yl)benzoate Traditional Name: 4-(4-benzyl-6-cyano-3-ethoxy-5-keto-3H-1,2,4-triazin-2-yl)benzoic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)C(=O)OCC)C#N)CC3=CC=CC=C3

Isomeric SMILES

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)C(=O)OCC)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-3-29-21(28)17-10-12-18(13-11-17)26-22(30-4-2)25(20(27)19(14-23)24-26)15-16-8-6-5-7-9-16/h5-13,22H,3-4,15H2,1-2H3