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

Systemtic Name: ethyl (2R,4S)-6-methyl-2,4-bis(4-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate Openeye Name: ethyl (2R,4S)-6-methyl-2,4-bis(4-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate CAS Name: (2R,4S)-6-methyl-2,4-bis(4-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,4S)-6-methyl-2,4-bis(4-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate Traditional Name: (2R,4S)-6-methyl-2,4-bis(4-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O6/c1-3-30-20(25)17-12(2)21-19(14-6-10-16(11-7-14)24(28)29)22-18(17)13-4-8-15(9-5-13)23(26)27/h4-11,18-19,21-22H,3H2,1-2H3/t18-,19-/m0/s1