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

Systemtic Name: pentyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O5/c1-3-4-5-9-25-16(21)14-11(2)18-17(22)19-15(14)12-7-6-8-13(10-12)20(23)24/h6-8,10,15H,3-5,9H2,1-2H3,(H2,18,19,22)/t15-/m1/s1