phenethyl 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: phenethyl 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-methyl-6-(2-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O5/c1-3-24-15(2)19(21(26)30-14-13-16-9-5-4-6-10-16)20(23-22(24)27)17-11-7-8-12-18(17)25(28)29/h4-12,20H,3,13-14H2,1-2H3,(H,23,27)