O3-(2-cyanoethyl) O5-(phenylmethyl) 2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-cyanoethyl) O5-(phenylmethyl) 2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(2-cyanoethyl) 2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(2-cyanoethyl) 2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-benzyl ester O3-(2-cyanoethyl) ester Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CC)C(=O)OCC3=CC=CC=C3)C(=O)OCCC#N

Isomeric SMILES

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CC)C(=O)OCC3=CC=CC=C3)C(=O)OCCC#N

InChI

InChI=1S/C27H27N3O6/c1-3-24-22(26(31)35-16-8-15-28)17-23(27(32)36-18-19-9-6-5-7-10-19)25(4-2)29(24)20-11-13-21(14-12-20)30(33)34/h5-7,9-14H,3-4,8,16-18H2,1-2H3