N-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-keto-ethyl]-3-nitro-benzamide Formula: C16H11BrF3N3O4 MolecularWeight: 446.17545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrF3N3O4/c17-13-5-4-10(7-12(13)16(18,19)20)22-14(24)8-21-15(25)9-2-1-3-11(6-9)23(26)27/h1-7H,8H2,(H,21,25)(H,22,24)