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

Systemtic Name: (5-methyl-2-propyl-phenyl)methyl 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate Openeye Name: (5-methyl-2-propyl-phenyl)methyl 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate CAS Name: carbonic acid (5-methyl-2-propylphenyl)methyl 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: (5-methyl-2-propylphenyl)methyl 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate Traditional Name: carbonic acid (5-methyl-2-propyl-benzyl) 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7/c1-4-5-15-7-6-13(2)8-16(15)11-26-21(23)29-14(3)17-9-19-20(28-12-27-19)10-18(17)22(24)25/h6-10,14H,4-5,11-12H2,1-3H3