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

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl 5-methyl-2-propyl-benzoate Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl 5-methyl-2-propyl-benzoate CAS Name: 5-methyl-2-propylbenzoic acid 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl 5-methyl-2-propylbenzoate Traditional Name: 5-methyl-2-propyl-benzoic acid 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-4-5-14-7-6-12(2)8-16(14)20(22)27-13(3)15-9-18-19(26-11-25-18)10-17(15)21(23)24/h6-10,13H,4-5,11H2,1-3H3