N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C17H16BrFN2O5 MolecularWeight: 427.221743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NCC2=C(C=CC(=C2)Br)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NCC2=C(C=CC(=C2)Br)F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16BrFN2O5/c1-3-26-16-7-12(14(21(23)24)8-15(16)25-2)17(22)20-9-10-6-11(18)4-5-13(10)19/h4-8H,3,9H2,1-2H3,(H,20,22)