ethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(phenylcarbonyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxidanylidene-3-(phenylcarbonyl)-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 3-benzoyl-1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate CAS Name: 3-benzoyl-1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate Traditional Name: 3-benzoyl-2-keto-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H21N3O6/c1-4-31-21(27)18-14(2)23(3)22(28)24(20(26)15-9-6-5-7-10-15)19(18)16-11-8-12-17(13-16)25(29)30/h5-13,19H,4H2,1-3H3