N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H15BrFN3O5 MolecularWeight: 452.231203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C18H15BrFN3O5/c19-12-3-5-14(20)11(8-12)10-21-17(24)2-1-7-22-15-6-4-13(23(26)27)9-16(15)28-18(22)25/h3-6,8-9H,1-2,7,10H2,(H,21,24)