ethyl 4-[[3-(4-ethoxyphenyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-ethoxyphenyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 4-[[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 4-[(2,4-diketo-3-p-phenetyl-1H-pyrimidine-5-carbonyl)amino]benzoic acid ethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H21N3O6/c1-3-30-17-11-9-16(10-12-17)25-20(27)18(13-23-22(25)29)19(26)24-15-7-5-14(6-8-15)21(28)31-4-2/h5-13H,3-4H2,1-2H3,(H,23,29)(H,24,26)