O3,O5-diethyl O4-[(4-nitrophenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-diethyl O4-[(4-nitrophenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-diethyl O4-[(4-nitrophenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-[(4-nitrophenyl)methyl] ester IUPAC Name: 3-O,5-O-diethyl 4-O-[(4-nitrophenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-(4-nitrobenzyl) ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)C

InChI

InChI=1S/C21H24N2O8/c1-5-29-19(24)16-12(3)22-13(4)17(20(25)30-6-2)18(16)21(26)31-11-14-7-9-15(10-8-14)23(27)28/h7-10,18,22H,5-6,11H2,1-4H3