(E)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[(4-fluoro-3-methyl-phenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(4-fluoro-3-methyl-benzyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H15FN2O5 MolecularWeight: 358.320503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN2O5/c1-11-6-12(2-4-14(11)19)9-20-18(22)5-3-13-7-16-17(26-10-25-16)8-15(13)21(23)24/h2-8H,9-10H2,1H3,(H,20,22)/b5-3+