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

Systemtic Name: cyclopentyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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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)OC3CCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCC3

InChI

InChI=1S/C18H21N3O5/c1-11-15(17(22)26-14-5-3-4-6-14)16(19-18(23)20(11)2)12-7-9-13(10-8-12)21(24)25/h7-10,14,16H,3-6H2,1-2H3,(H,19,23)