[(E)-but-2-enyl] (4R)-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [(E)-but-2-enyl] (4R)-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(E)-but-2-enyl] (4R)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] (4R)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-methyl-4-(4-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(E)-but-2-enyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-3-4-9-24-15(20)13-10(2)17-16(21)18-14(13)11-5-7-12(8-6-11)19(22)23/h3-8,14H,9H2,1-2H3,(H2,17,18,21)/b4-3+/t14-/m1/s1