methyl (6S)-4-methyl-6-(2-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-4-methyl-6-(2-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-benzyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-6-(2-nitrophenyl)-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-benzyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-benzyl-2-keto-4-methyl-6-(2-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N3O5/c1-13-17(19(24)28-2)18(15-10-6-7-11-16(15)23(26)27)21-20(25)22(13)12-14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3,(H,21,25)/t18-/m0/s1