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

Systemtic Name: 3,3-dimethylbutan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,2,2-trimethylpropyl 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 3,3-dimethylbutan-2-yl ester IUPAC Name: 3,3-dimethylbutan-2-yl 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 1,2,2-trimethylpropyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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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)OC(C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-10-14(16(22)26-11(2)18(3,4)5)15(20-17(23)19-10)12-7-6-8-13(9-12)21(24)25/h6-9,11,15H,1-5H3,(H2,19,20,23)