4-fluoranyl-N-[3-[[3-nitro-2-oxidanyl-5-(phenylmethyl)phenyl]methylamino]phenyl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-[[3-nitro-2-oxidanyl-5-(phenylmethyl)phenyl]methylamino]phenyl]benzamide Openeye Name: N-[3-[(5-benzyl-2-hydroxy-3-nitro-phenyl)methylamino]phenyl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[3-[[2-hydroxy-3-nitro-5-(phenylmethyl)phenyl]methylamino]phenyl]benzamide IUPAC Name: N-[3-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylamino]phenyl]-4-fluorobenzamide Traditional Name: N-[3-[(5-benzyl-2-hydroxy-3-nitro-benzyl)amino]phenyl]-4-fluoro-benzamide Formula: C27H22FN3O4 MolecularWeight: 471.479683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)CNC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)CNC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H22FN3O4/c28-22-11-9-20(10-12-22)27(33)30-24-8-4-7-23(16-24)29-17-21-14-19(13-18-5-2-1-3-6-18)15-25(26(21)32)31(34)35/h1-12,14-16,29,32H,13,17H2,(H,30,33)