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

Systemtic Name: methyl 4-(bromomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(bromomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(bromomethyl)-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(bromomethyl)-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(bromomethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C19H14BrN3O4 MolecularWeight: 428.23616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1CBr)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1CBr)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN3O4/c1-27-19(24)16-15(11-20)21-18(12-6-3-2-4-7-12)22-17(16)13-8-5-9-14(10-13)23(25)26/h2-10H,11H2,1H3