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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-3-4-5-6-11-26-17(22)15-12(2)19-18(23)20-16(15)13-7-9-14(10-8-13)21(24)25/h5-10,16H,3-4,11H2,1-2H3,(H2,19,20,23)/b6-5+