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

Systemtic Name: cycloheptyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cycloheptyl 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 cycloheptyl ester IUPAC Name: cycloheptyl 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 cycloheptyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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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)OC3CCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCCCC3

InChI

InChI=1S/C20H25N3O5/c1-13-17(19(24)28-16-7-5-3-4-6-8-16)18(21-20(25)22(13)2)14-9-11-15(12-10-14)23(26)27/h9-12,16,18H,3-8H2,1-2H3,(H,21,25)