ethyl 4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chloro-3-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-3-nitrophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O4/c1-3-28-20(25)17-12(2)22-19(13-7-5-4-6-8-13)23-18(17)14-9-10-15(21)16(11-14)24(26)27/h4-11H,3H2,1-2H3