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

Systemtic Name: phenethyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(2-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-14-18(20(25)29-13-12-15-8-4-3-5-9-15)19(22-21(26)23(14)2)16-10-6-7-11-17(16)24(27)28/h3-11,19H,12-13H2,1-2H3,(H,22,26)