ethyl (2S,4S)-6-methyl-4-(2-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Systemtic Name: ethyl (2S,4S)-6-methyl-4-(2-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate Openeye Name: ethyl (2S,4S)-6-methyl-4-(2-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate CAS Name: (2S,4S)-6-methyl-4-(2-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S)-6-methyl-4-(2-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate Traditional Name: (2S,4S)-6-methyl-4-(2-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(NC1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N[C@H](N[C@H]1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O4/c1-3-27-20(24)17-13(2)21-19(14-9-5-4-6-10-14)22-18(17)15-11-7-8-12-16(15)23(25)26/h4-12,18-19,21-22H,3H2,1-2H3/t18-,19+/m0/s1