(5-methyl-2-propyl-phenyl)methyl (6-nitro-1,3-benzodioxol-5-yl)methyl carbonate

Systemtic Name: (5-methyl-2-propyl-phenyl)methyl (6-nitro-1,3-benzodioxol-5-yl)methyl carbonate Openeye Name: (5-methyl-2-propyl-phenyl)methyl (6-nitro-1,3-benzodioxol-5-yl)methyl carbonate CAS Name: carbonic acid (5-methyl-2-propylphenyl)methyl (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (5-methyl-2-propylphenyl)methyl (6-nitro-1,3-benzodioxol-5-yl)methyl carbonate Traditional Name: carbonic acid (5-methyl-2-propyl-benzyl) (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C)COC(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCCC1=C(C=C(C=C1)C)COC(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C20H21NO7/c1-3-4-14-6-5-13(2)7-15(14)10-25-20(22)26-11-16-8-18-19(28-12-27-18)9-17(16)21(23)24/h5-9H,3-4,10-12H2,1-2H3