N-[(E)-[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[(E)-[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[(E)-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methyleneamino]-4-cyano-2-fluoro-benzamide CAS Name: N-[(E)-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide IUPAC Name: N-[(E)-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide Traditional Name: N-[(E)-[5-bromo-2-(3-nitrobenzyl)oxy-benzylidene]amino]-4-cyano-2-fluoro-benzamide Formula: C22H14BrFN4O4 MolecularWeight: 497.273363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)Br)C=NNC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C22H14BrFN4O4/c23-17-5-7-21(32-13-15-2-1-3-18(8-15)28(30)31)16(10-17)12-26-27-22(29)19-6-4-14(11-25)9-20(19)24/h1-10,12H,13H2,(H,27,29)/b26-12+