2-cyanoethyl 2-(4-azidobutyl)-5-ethanoyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl 2-(4-azidobutyl)-5-ethanoyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCCCN=[N+]=[N-])C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)CCCCN=[N+]=[N-])C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C22H24N6O5/c1-14-19(15(2)29)20(16-7-9-17(10-8-16)28(31)32)21(22(30)33-13-5-11-23)18(26-14)6-3-4-12-25-27-24/h7-10,20,26H,3-6,12-13H2,1-2H3