(3-fluoranyl-4-methoxy-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C16H12FNO7 MolecularWeight: 349.267383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

InChI

InChI=1S/C16H12FNO7/c1-22-13-3-2-9(4-11(13)17)7-23-16(19)10-5-14-15(25-8-24-14)6-12(10)18(20)21/h2-6H,7-8H2,1H3