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

Systemtic Name: ethyl (6S)-6-(4-chloranyl-3-nitro-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(4-chloro-3-nitro-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-chloro-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-chloro-3-nitro-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H16ClN3O5 MolecularWeight: 353.75764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O5/c1-4-24-14(20)12-8(2)18(3)15(21)17-13(12)9-5-6-10(16)11(7-9)19(22)23/h5-7,13H,4H2,1-3H3,(H,17,21)/t13-/m0/s1