ethyl 4-(4-chlorophenyl)-6-[(5-methyl-2-nitro-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(5-methyl-2-nitro-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[(5-methyl-2-nitro-phenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[(5-methyl-2-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[(5-methyl-2-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[(5-methyl-2-nitro-phenoxy)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC3=C(C=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC3=C(C=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O6/c1-3-30-20(26)18-15(11-31-17-10-12(2)4-9-16(17)25(28)29)23-21(27)24-19(18)13-5-7-14(22)8-6-13/h4-10,19H,3,11H2,1-2H3,(H2,23,24,27)