N-[4-bromanyl-3-(trifluoromethyl)phenyl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C17H14BrF3N2O5 MolecularWeight: 463.20267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14BrF3N2O5/c1-3-28-15-7-10(13(23(25)26)8-14(15)27-2)16(24)22-9-4-5-12(18)11(6-9)17(19,20)21/h4-8H,3H2,1-2H3,(H,22,24)