ethyl 4-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6/c1-4-32-23(27)17-14-24-22(15-8-6-5-7-9-15)25-18(17)11-10-16-12-20(30-2)21(31-3)13-19(16)26(28)29/h5-14H,4H2,1-3H3/b11-10+