N-[(3-fluoranyl-4-methyl-phenyl)methyl]-6-nitro-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-6-nitro-piperonylamide Formula: C16H13FN2O5 MolecularWeight: 332.283223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

InChI

InChI=1S/C16H13FN2O5/c1-9-2-3-10(4-12(9)17)7-18-16(20)11-5-14-15(24-8-23-14)6-13(11)19(21)22/h2-6H,7-8H2,1H3,(H,18,20)