methyl 4-(1-bromoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(1-bromoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(1-bromoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(1-bromoethyl)-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(1-bromoethyl)-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(1-bromoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)Br

Isomeric SMILES

CC(C1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O4/c1-12(21)17-16(20(25)28-2)18(14-9-6-10-15(11-14)24(26)27)23-19(22-17)13-7-4-3-5-8-13/h3-12H,1-2H3