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

Systemtic Name: O3-(2-cyanoethyl) O5-(phenylmethyl) 2-ethyl-6-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(2-cyanoethyl) 2-ethyl-6-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-ethyl-6-(methoxymethyl)-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-ethyl-6-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-ethyl-6-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-benzyl ester O3-(2-cyanoethyl) ester Formula: C27H27N3O7 MolecularWeight: 505.51918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O7/c1-3-24-22(26(31)36-15-7-14-28)16-23(27(32)37-17-19-8-5-4-6-9-19)25(18-35-2)29(24)20-10-12-21(13-11-20)30(33)34/h4-6,8-13H,3,7,15-18H2,1-2H3