6-[[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-butoxy-5-(1,1,3,3-tetramethylbutyl)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)anilino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)anilino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-butoxy-5-(1,1,3,3-tetramethylbutyl)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)NC=C2C=CC=C(C2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)NC=C2C=CC=C(C2=O)[N+](=O)[O-]

InChI

InChI=1S/C25H34N2O4/c1-7-8-14-31-22-13-12-19(25(5,6)17-24(2,3)4)15-20(22)26-16-18-10-9-11-21(23(18)28)27(29)30/h9-13,15-16,26H,7-8,14,17H2,1-6H3