[5-[(2-nitrophenyl)methoxycarbonyloxymethyl]-1,2,3,4-tetrazol-5-yl] 3,3-dimethylbutanoate

Systemtic Name: [5-[(2-nitrophenyl)methoxycarbonyloxymethyl]-1,2,3,4-tetrazol-5-yl] 3,3-dimethylbutanoate Openeye Name: [5-[(2-nitrophenyl)methoxycarbonyloxymethyl]tetrazol-5-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [5-[[(2-nitrophenyl)methoxy-oxomethoxy]methyl]-5-tetrazolyl] ester IUPAC Name: [5-[(2-nitrophenyl)methoxycarbonyloxymethyl]tetrazol-5-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [5-[(2-nitrobenzyl)oxycarbonyloxymethyl]tetrazol-5-yl] ester Formula: C16H19N5O7 MolecularWeight: 393.35136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1(N=NN=N1)COC(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)OC1(N=NN=N1)COC(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O7/c1-15(2,3)8-13(22)28-16(17-19-20-18-16)10-27-14(23)26-9-11-6-4-5-7-12(11)21(24)25/h4-7H,8-10H2,1-3H3