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

Systemtic Name: (phenylmethyl) 3,4-dimethyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(4-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-13-17(19(24)28-12-14-6-4-3-5-7-14)18(21-20(25)22(13)2)15-8-10-16(11-9-15)23(26)27/h3-11,18H,12H2,1-2H3,(H,21,25)