1,3-benzodioxol-5-yl 2-methyl-3,5-dinitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-methyl-3,5-dinitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C15H10N2O8 MolecularWeight: 346.2485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O8/c1-8-11(4-9(16(19)20)5-12(8)17(21)22)15(18)25-10-2-3-13-14(6-10)24-7-23-13/h2-6H,7H2,1H3