butyl (6S)-3,4-dimethyl-6-(2-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: butyl (6S)-3,4-dimethyl-6-(2-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: butyl (6S)-3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid butyl ester IUPAC Name: butyl (6S)-3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-2-keto-3,4-dimethyl-6-(2-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid butyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-4-5-10-25-16(21)14-11(2)19(3)17(22)18-15(14)12-8-6-7-9-13(12)20(23)24/h6-9,15H,4-5,10H2,1-3H3,(H,18,22)/t15-/m0/s1