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

Systemtic Name: cyclooctyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cyclooctyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(4-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid cyclooctyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCCCCC3

InChI

InChI=1S/C21H27N3O5/c1-14-18(20(25)29-17-8-6-4-3-5-7-9-17)19(22-21(26)23(14)2)15-10-12-16(13-11-15)24(27)28/h10-13,17,19H,3-9H2,1-2H3,(H,22,26)