O5-ethyl O3-(3-oxidanylidenebutyl) 2,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydro-1H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-(3-oxidanylidenebutyl) 2,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydro-1H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-(3-oxobutyl) 2,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydro-1H-pyrimidine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydro-1H-pyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-(3-oxobutyl) ester IUPAC Name: 5-O-ethyl 3-O-(3-oxobutyl) 2,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydro-1H-pyrimidine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydro-1H-pyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-(3-ketobutyl) ester Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC(=O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC(=O)C)C)C

InChI

InChI=1S/C20H25N3O7/c1-5-29-19(25)17-13(3)21-14(4)22(20(26)30-10-9-12(2)24)18(17)15-7-6-8-16(11-15)23(27)28/h6-8,11,14,18,21H,5,9-10H2,1-4H3