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

Systemtic Name: ethyl 4-(4-acetyloxy-3-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-acetoxy-3-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-acetyloxy-3-nitrophenyl)-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetyloxy-3-nitrophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-acetoxy-3-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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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)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6/c1-4-30-22(27)19-13(2)23-21(15-8-6-5-7-9-15)24-20(19)16-10-11-18(31-14(3)26)17(12-16)25(28)29/h5-12H,4H2,1-3H3