6-(2-azidoethoxymethyl)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-(2-azidoethoxymethyl)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-(2-azidoethoxymethyl)-5-tert-butoxycarbonyl-2-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-(2-azidoethoxymethyl)-2-ethyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-(2-azidoethoxymethyl)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-(2-azidoethoxymethyl)-5-tert-butoxycarbonyl-2-ethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C22H27N5O7 MolecularWeight: 473.47908

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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)O

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)O

InChI

InChI=1S/C22H27N5O7/c1-5-15-18(20(28)29)17(13-6-8-14(9-7-13)27(31)32)19(21(30)34-22(2,3)4)16(25-15)12-33-11-10-24-26-23/h6-9,17,25H,5,10-12H2,1-4H3,(H,28,29)