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

Systemtic Name: (E)-N-(3-fluoranyl-4-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3-fluoro-4-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3-fluoro-4-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3-fluoro-4-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3-fluoro-4-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H13FN2O5 MolecularWeight: 344.293923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN2O5/c1-10-2-4-12(7-13(10)18)19-17(21)5-3-11-6-15-16(25-9-24-15)8-14(11)20(22)23/h2-8H,9H2,1H3,(H,19,21)/b5-3+