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

Systemtic Name: ethyl 4-(2-ethoxy-5-nitro-phenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-ethoxy-5-nitro-phenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-ethoxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-ethoxy-5-nitro-phenyl)-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H21N3O6/c1-3-29-16-11-10-14(24(27)28)12-15(16)19-17(20(25)30-4-2)18(22-21(26)23-19)13-8-6-5-7-9-13/h5-12,19H,3-4H2,1-2H3,(H2,22,23,26)