(4-nitrophenyl) 5-ethanoyl-2,6-dimethyl-4-phenyl-4H-pyrimidine-3-carboxylate

Systemtic Name: (4-nitrophenyl) 5-ethanoyl-2,6-dimethyl-4-phenyl-4H-pyrimidine-3-carboxylate Openeye Name: (4-nitrophenyl) 5-acetyl-2,6-dimethyl-4-phenyl-4H-pyrimidine-3-carboxylate CAS Name: 5-acetyl-2,6-dimethyl-4-phenyl-4H-pyrimidine-3-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-acetyl-2,6-dimethyl-4-phenyl-4H-pyrimidine-3-carboxylate Traditional Name: 5-acetyl-2,6-dimethyl-4-phenyl-4H-pyrimidine-3-carboxylic acid (4-nitrophenyl) ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(N(C(=N1)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H19N3O5/c1-13-19(14(2)25)20(16-7-5-4-6-8-16)23(15(3)22-13)21(26)29-18-11-9-17(10-12-18)24(27)28/h4-12,20H,1-3H3