N-[(E)-2-(4-bromophenyl)sulfonyl-2-nitro-ethenyl]-3,5-bis(trifluoromethyl)aniline

Systemtic Name: N-[(E)-2-(4-bromophenyl)sulfonyl-2-nitro-ethenyl]-3,5-bis(trifluoromethyl)aniline Openeye Name: N-[(E)-2-(4-bromophenyl)sulfonyl-2-nitro-vinyl]-3,5-bis(trifluoromethyl)aniline CAS Name: N-[(E)-2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline IUPAC Name: N-[(E)-2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[(E)-2-brosyl-2-nitro-vinyl]amine Formula: C16H9BrF6N2O4S MolecularWeight: 519.213079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)/C(=C/NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/[N+](=O)[O-])Br

InChI

InChI=1S/C16H9BrF6N2O4S/c17-11-1-3-13(4-2-11)30(28,29)14(25(26)27)8-24-12-6-9(15(18,19)20)5-10(7-12)16(21,22)23/h1-8,24H/b14-8+