cyclopentyl 3-butyl-4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCC3)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCC3)C

InChI

InChI=1S/C21H27N3O5/c1-3-4-13-23-14(2)18(20(25)29-17-7-5-6-8-17)19(22-21(23)26)15-9-11-16(12-10-15)24(27)28/h9-12,17,19H,3-8,13H2,1-2H3,(H,22,26)