ethyl 4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitrophenyl)methyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(3-nitrobenzyl)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4/c1-2-27-20(24)17-13-21-19(15-8-4-3-5-9-15)22-18(17)12-14-7-6-10-16(11-14)23(25)26/h3-11,13H,2,12H2,1H3