3-[(E)-5-(4-azido-2-nitro-phenoxy)-3-methyl-pent-3-enyl]-2,2-dimethyl-oxirane

Systemtic Name: 3-[(E)-5-(4-azido-2-nitro-phenoxy)-3-methyl-pent-3-enyl]-2,2-dimethyl-oxirane Openeye Name: 3-[(E)-5-(4-azido-2-nitro-phenoxy)-3-methyl-pent-3-enyl]-2,2-dimethyl-oxirane CAS Name: 3-[(E)-5-(4-azido-2-nitrophenoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane IUPAC Name: 3-[(E)-5-(4-azido-2-nitrophenoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane Traditional Name: 3-[(E)-5-(4-azido-2-nitro-phenoxy)-3-methyl-pent-3-enyl]-2,2-dimethyl-oxirane Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])CCC2C(O2)(C)C

Isomeric SMILES

C/C(=C\COC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])/CCC2C(O2)(C)C

InChI

InChI=1S/C16H20N4O4/c1-11(4-7-15-16(2,3)24-15)8-9-23-14-6-5-12(18-19-17)10-13(14)20(21)22/h5-6,8,10,15H,4,7,9H2,1-3H3/b11-8+