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

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

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H21N3O6/c1-2-30-20(26)18-16(12-17(25)13-8-10-15(11-9-13)24(28)29)22-21(27)23-19(18)14-6-4-3-5-7-14/h3-11,17,19,25H,2,12H2,1H3,(H2,22,23,27)