O3-[(5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl] ester O1-methyl ester Formula: C23H21N3O9 MolecularWeight: 483.42754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O9/c1-3-34-22(29)18-17(24-23(30)25-19(18)13-7-5-4-6-8-13)12-35-21(28)15-9-14(20(27)33-2)10-16(11-15)26(31)32/h4-11,19H,3,12H2,1-2H3,(H2,24,25,30)