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

Systemtic Name: methyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-benzyl-6-(4-chloro-3-nitro-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-benzyl-6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-benzyl-6-(4-chloro-3-nitro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5/c1-12-17(19(25)29-2)18(14-8-9-15(21)16(10-14)24(27)28)22-20(26)23(12)11-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3,(H,22,26)/t18-/m0/s1