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

Systemtic Name: ethyl 6-ethyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-ethyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-ethyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-ethyl-2-keto-4-(4-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H17N3O5/c1-3-11-12(14(19)23-4-2)13(17-15(20)16-11)9-5-7-10(8-6-9)18(21)22/h5-8,13H,3-4H2,1-2H3,(H2,16,17,20)