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

Systemtic Name: ethyl 6-[(2-chloranyl-4-nitro-phenyl)carbonyloxymethyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-chloro-4-nitro-benzoyl)oxymethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2-chloro-4-nitrophenyl)-oxomethoxy]methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloro-4-nitrobenzoyl)oxymethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2-chloro-4-nitro-benzoyl)oxymethyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H17Cl2N3O7 MolecularWeight: 494.28158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N3O7/c1-2-32-20(28)17-16(24-21(29)25-18(17)11-3-5-12(22)6-4-11)10-33-19(27)14-8-7-13(26(30)31)9-15(14)23/h3-9,18H,2,10H2,1H3,(H2,24,25,29)