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

Systemtic Name: 6-[[(5-tert-butyl-2-oxidanyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5-tert-butyl-2-hydroxy-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(5-tert-butyl-2-hydroxyanilino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5-tert-butyl-2-hydroxyanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[(5-tert-butyl-2-hydroxy-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-17(2,3)12-4-6-16(21)14(9-12)18-10-11-8-13(19(22)23)5-7-15(11)20/h4-10,18,21H,1-3H3