tert-butyl 5-[(4-methoxycarbonyl-2-nitro-phenyl)-oxidanyl-methyl]-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: tert-butyl 5-[(4-methoxycarbonyl-2-nitro-phenyl)-oxidanyl-methyl]-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: tert-butyl 5-[hydroxy-(4-methoxycarbonyl-2-nitro-phenyl)methyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate CAS Name: 5-[hydroxy-(4-methoxycarbonyl-2-nitrophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[hydroxy-(4-methoxycarbonyl-2-nitrophenyl)methyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate Traditional Name: 5-[(4-carbomethoxy-2-nitro-phenyl)-hydroxy-methyl]-3-p-anisyl-triazole-4-carboxylic acid tert-butyl ester Formula: C24H26N4O8 MolecularWeight: 498.48524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=NN1CC2=CC=C(C=C2)OC)C(C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=NN1CC2=CC=C(C=C2)OC)C(C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])O

InChI

InChI=1S/C24H26N4O8/c1-24(2,3)36-23(31)20-19(25-26-27(20)13-14-6-9-16(34-4)10-7-14)21(29)17-11-8-15(22(30)35-5)12-18(17)28(32)33/h6-12,21,29H,13H2,1-5H3