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

Systemtic Name: ethyl 6-[(4-chloranyl-2-nitro-phenoxy)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-chloro-2-nitro-phenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4-chloro-2-nitrophenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-chloro-2-nitrophenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-chloro-2-nitro-phenoxy)methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O7 MolecularWeight: 461.8524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O7/c1-3-31-20(26)18-15(11-32-17-9-6-13(22)10-16(17)25(28)29)23-21(27)24-19(18)12-4-7-14(30-2)8-5-12/h4-10,19H,3,11H2,1-2H3,(H2,23,24,27)