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

Systemtic Name: cyclohexyl 6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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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)OC3CCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCCC3

InChI

InChI=1S/C18H21N3O5/c1-11-15(17(22)26-14-8-3-2-4-9-14)16(20-18(23)19-11)12-6-5-7-13(10-12)21(24)25/h5-7,10,14,16H,2-4,8-9H2,1H3,(H2,19,20,23)