ethyl 4-[2-[(4-chlorophenyl)methoxy]-3-nitro-phenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(4-chlorophenyl)methoxy]-3-nitro-phenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(4-chlorophenyl)methoxy]-3-nitro-phenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[2-(4-chlorobenzyl)oxy-3-nitro-phenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H22ClN3O5 MolecularWeight: 503.93368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=C(C(=CC=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=C(C(=CC=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClN3O5/c1-3-35-27(32)23-17(2)29-26(19-8-5-4-6-9-19)30-24(23)21-10-7-11-22(31(33)34)25(21)36-16-18-12-14-20(28)15-13-18/h4-15H,3,16H2,1-2H3