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

Systemtic Name: 2-phenoxyethyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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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)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O6/c1-14-18(20(25)30-12-11-29-17-9-4-3-5-10-17)19(22-21(26)23(14)2)15-7-6-8-16(13-15)24(27)28/h3-10,13,19H,11-12H2,1-2H3,(H,22,26)