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

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Formula: C18H16BrF3N2O6 MolecularWeight: 493.22865

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC

InChI

InChI=1S/C18H16BrF3N2O6/c1-28-5-6-30-16-9-14(24(26)27)11(8-15(16)29-2)17(25)23-10-3-4-13(19)12(7-10)18(20,21)22/h3-4,7-9H,5-6H2,1-2H3,(H,23,25)