N-[(E)-1-bromanyl-1-(2-fluorophenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-bromanyl-1-(2-fluorophenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-bromo-2-(2-fluorophenyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-bromo-1-(2-fluorophenyl)-3-oxo-3-(1-piperidinyl)prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-bromo-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-bromo-2-(2-fluorophenyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide Formula: C21H19BrFN3O4 MolecularWeight: 476.295663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C(C2=CC=CC=C2F)Br)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C(/C2=CC=CC=C2F)\Br)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrFN3O4/c22-18(16-6-2-3-7-17(16)23)19(21(28)25-12-4-1-5-13-25)24-20(27)14-8-10-15(11-9-14)26(29)30/h2-3,6-11H,1,4-5,12-13H2,(H,24,27)/b19-18+