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

Systemtic Name: [(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(E)-hept-2-enyl] ester IUPAC Name: [(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(4-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(E)-hept-2-enyl] ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C/COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O5/c1-3-4-5-6-7-12-27-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(25)26/h6-11,17H,3-5,12H2,1-2H3,(H2,20,21,24)/b7-6+