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

Systemtic Name: O3-(2-cyanoethyl) O5-(phenylmethyl) 2,6-diethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(2-cyanoethyl) 2,6-diethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-diethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(2-cyanoethyl) 2,6-diethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-diethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-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(C(C(=C(N1)CC)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCC#N

Isomeric SMILES

CCC1=C(C(C(=C(N1)CC)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCC#N

InChI

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