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

Systemtic Name: ethyl 6-[[4-(4-chloranyl-2-nitro-phenoxy)phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(4-chloro-2-nitro-phenoxy)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(4-chloro-2-nitrophenoxy)phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-chloro-2-nitrophenoxy)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(4-chloro-2-nitro-phenoxy)benzoyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18ClN3O8 MolecularWeight: 475.83592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O8/c1-2-31-20(27)15-10-23-21(28)24-16(15)11-32-19(26)12-3-6-14(7-4-12)33-18-8-5-13(22)9-17(18)25(29)30/h3-9H,2,10-11H2,1H3,(H2,23,24,28)