ethyl 3-ethyl-6-(3-nitrophenyl)-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-6-(3-nitrophenyl)-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(3-nitrophenyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(3-nitrophenyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(3-nitrophenyl)-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-(3-nitrophenyl)-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-3-23-19(14-9-6-5-7-10-14)17(20(25)29-4-2)18(22-21(23)26)15-11-8-12-16(13-15)24(27)28/h5-13,18H,3-4H2,1-2H3,(H,22,26)