N-[3-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-bromo-3-(trifluoromethyl)anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[4-bromo-3-(trifluoromethyl)anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-bromo-3-(trifluoromethyl)anilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[4-bromo-3-(trifluoromethyl)anilino]-3-keto-propyl]-4-nitro-benzamide Formula: C17H13BrF3N3O4 MolecularWeight: 460.20203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrF3N3O4/c18-14-6-3-11(9-13(14)17(19,20)21)23-15(25)7-8-22-16(26)10-1-4-12(5-2-10)24(27)28/h1-6,9H,7-8H2,(H,22,26)(H,23,25)