4-bromanyl-6-[[[4-[[5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfonyl]-3-nitro-2-phenylazanyl-phenyl]amino]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[[4-[[5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfonyl]-3-nitro-2-phenylazanyl-phenyl]amino]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-[2-anilino-5-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-3-nitro-anilino]anilino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-[2-anilino-5-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-3-nitroanilino]anilino]methylidene]-4-bromo-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-[2-anilino-5-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-3-nitroanilino]anilino]methylidene]-4-bromocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-[2-anilino-5-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-3-nitro-anilino]anilino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C28H18BrF7N4O5S MolecularWeight: 735.424142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2NC3=CC=C(C=C3)NC=C4C=C(C=CC4=O)Br)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2NC3=CC=C(C=C3)NC=C4C=C(C=CC4=O)Br)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C28H18BrF7N4O5S/c29-17-6-11-24(41)16(12-17)15-37-18-7-9-20(10-8-18)38-22-13-21(46(44,45)28(35,36)26(30,31)27(32,33)34)14-23(40(42)43)25(22)39-19-4-2-1-3-5-19/h1-15,37-39H