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

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 5-methyl-2-propyl-benzoate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 5-methyl-2-propyl-benzoate CAS Name: 5-methyl-2-propylbenzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 5-methyl-2-propylbenzoate Traditional Name: 5-methyl-2-propyl-benzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-3-4-13-6-5-12(2)7-15(13)19(21)24-10-14-8-17-18(26-11-25-17)9-16(14)20(22)23/h5-9H,3-4,10-11H2,1-2H3