6-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[2-nitro-4-(trifluoromethyl)anilino]ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[2-nitro-4-(trifluoromethyl)anilino]ethylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[2-nitro-4-(trifluoromethyl)anilino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[2-nitro-4-(trifluoromethyl)anilino]ethylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H14F3N3O3 MolecularWeight: 353.29587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C=C1

Isomeric SMILES

C1=CC(=CNCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C=C1

InChI

InChI=1S/C16H14F3N3O3/c17-16(18,19)12-5-6-13(14(9-12)22(24)25)21-8-7-20-10-11-3-1-2-4-15(11)23/h1-6,9-10,20-21H,7-8H2