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

Systemtic Name: phenethyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(3-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)29-12-11-15-7-4-3-5-8-15)19(22-21(26)23(14)2)16-9-6-10-17(13-16)24(27)28/h3-10,13,19H,11-12H2,1-2H3,(H,22,26)