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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-fluoranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-nitro-phenyl)acrylamide Formula: C16H11FN2O5 MolecularWeight: 330.267343

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11FN2O5/c17-12-4-3-11(8-13(12)19(21)22)18-16(20)6-2-10-1-5-14-15(7-10)24-9-23-14/h1-8H,9H2,(H,18,20)/b6-2+