2-(2-azidoethoxymethyl)-5-(2-cyanoethoxycarbonyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-(2-azidoethoxymethyl)-5-(2-cyanoethoxycarbonyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(2-azidoethoxymethyl)-5-(2-cyanoethoxycarbonyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(2-azidoethoxymethyl)-5-[2-cyanoethoxy(oxo)methyl]-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(2-azidoethoxymethyl)-5-(2-cyanoethoxycarbonyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(2-azidoethoxymethyl)-5-(2-cyanoethoxycarbonyl)-6-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C21H22N6O7 MolecularWeight: 470.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H22N6O7/c1-2-15-19(21(30)34-10-3-8-22)17(13-4-6-14(7-5-13)27(31)32)18(20(28)29)16(25-15)12-33-11-9-24-26-23/h4-7,17,25H,2-3,9-12H2,1H3,(H,28,29)