[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-2-enyl] 5-azido-2-nitro-benzoate

Systemtic Name: [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-2-enyl] 5-azido-2-nitro-benzoate Openeye Name: [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-2-enyl] 5-azido-2-nitro-benzoate CAS Name: 5-azido-2-nitrobenzoic acid [(E)-5-(3,3-dimethyl-2-oxiranyl)-3-methylpent-2-enyl] ester IUPAC Name: [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] 5-azido-2-nitrobenzoate Traditional Name: 5-azido-2-nitro-benzoic acid [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-2-enyl] ester Formula: C17H20N4O5 MolecularWeight: 360.3645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C1=C(C=CC(=C1)N=[N+]=[N-])[N+](=O)[O-])CCC2C(O2)(C)C

Isomeric SMILES

C/C(=C\COC(=O)C1=C(C=CC(=C1)N=[N+]=[N-])[N+](=O)[O-])/CCC2C(O2)(C)C

InChI

InChI=1S/C17H20N4O5/c1-11(4-7-15-17(2,3)26-15)8-9-25-16(22)13-10-12(19-20-18)5-6-14(13)21(23)24/h5-6,8,10,15H,4,7,9H2,1-3H3/b11-8+