O3-tert-butyl O5-(2-cyanoethyl) 2-(2-azidoethoxymethyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-(2-cyanoethyl) 2-(2-azidoethoxymethyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-(2-cyanoethyl) 2-(2-azidoethoxymethyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(2-azidoethoxymethyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-tert-butyl ester O5-(2-cyanoethyl) ester IUPAC Name: 3-O-tert-butyl 5-O-(2-cyanoethyl) 2-(2-azidoethoxymethyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(2-azidoethoxymethyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-tert-butyl ester O5-(2-cyanoethyl) ester Formula: C25H30N6O7 MolecularWeight: 526.5417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O7/c1-5-18-21(23(32)37-13-6-11-26)20(16-7-9-17(10-8-16)31(34)35)22(24(33)38-25(2,3)4)19(29-18)15-36-14-12-28-30-27/h7-10,20,29H,5-6,12-15H2,1-4H3