3-bromanyl-6-[[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 3-bromanyl-6-[[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 3-bromo-6-[(5-tert-butyl-3-chloro-2-hydroxy-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 3-bromo-6-[(5-tert-butyl-3-chloro-2-hydroxyanilino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 3-bromo-6-[(5-tert-butyl-3-chloro-2-hydroxyanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 3-bromo-6-[(5-tert-butyl-3-chloro-2-hydroxy-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H16BrClN2O4 MolecularWeight: 427.67694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC=C2C=C(C(=CC2=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC=C2C=C(C(=CC2=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrClN2O4/c1-17(2,3)10-5-12(19)16(23)13(6-10)20-8-9-4-14(21(24)25)11(18)7-15(9)22/h4-8,20,23H,1-3H3