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

Systemtic Name: ethyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H21N3O7/c1-3-30-15-11-13(10-14(19(15)25)24(28)29)18-16(20(26)31-4-2)17(22-21(27)23-18)12-8-6-5-7-9-12/h5-11,18,25H,3-4H2,1-2H3,(H2,22,23,27)