6-[[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-4-nitro-6-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-ethoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-4-nitro-6-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O5/c1-4-16(3)17-9-10-23-22(13-17)28-26(34-23)18-7-6-8-20(11-18)27-15-19-12-21(29(31)32)14-24(25(19)30)33-5-2/h6-16,27H,4-5H2,1-3H3