cyclooctyl 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclooctyl 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclooctyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCCCCC3

InChI

InChI=1S/C20H25N3O5/c1-13-17(19(24)28-16-10-5-3-2-4-6-11-16)18(22-20(25)21-13)14-8-7-9-15(12-14)23(26)27/h7-9,12,16,18H,2-6,10-11H2,1H3,(H2,21,22,25)