N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C18H15F6N3O4 MolecularWeight: 451.319819

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H15F6N3O4/c1-31-5-4-25-15-3-2-13(27(29)30)9-14(15)16(28)26-12-7-10(17(19,20)21)6-11(8-12)18(22,23)24/h2-3,6-9,25H,4-5H2,1H3,(H,26,28)