2-cyanoethyl 2-(2-azidoethoxymethyl)-4-(1,3-benzodioxol-5-yl)-5-ethanoyl-6-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl 2-(2-azidoethoxymethyl)-4-(1,3-benzodioxol-5-yl)-5-ethanoyl-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl 5-acetyl-2-(2-azidoethoxymethyl)-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2-(2-azidoethoxymethyl)-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 5-acetyl-2-(2-azidoethoxymethyl)-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2-(2-azidoethoxymethyl)-4-(1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COCCN=[N+]=[N-])C(=O)OCCC#N)C2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)COCCN=[N+]=[N-])C(=O)OCCC#N)C2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C22H23N5O6/c1-13-19(14(2)28)20(15-4-5-17-18(10-15)33-12-32-17)21(22(29)31-8-3-6-23)16(26-13)11-30-9-7-25-27-24/h4-5,10,20,26H,3,7-9,11-12H2,1-2H3