2-(2-azidoethoxymethyl)-5-(2-cyanoethoxycarbonyl)-6-ethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])COCCN=[N+]=[N-])C(=O)O)C(=O)OCCC#N

Isomeric SMILES

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])COCCN=[N+]=[N-])C(=O)O)C(=O)OCCC#N

InChI

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