(4Z)-2-(4-decoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4Z)-2-(4-decoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(4-decoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: (4Z)-2-(4-decoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(4-decoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(4-decoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-5-one Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=N/C(=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)O2

InChI

InChI=1S/C27H30N2O7/c1-2-3-4-5-6-7-8-9-14-33-21-12-10-19(11-13-21)26-28-22(27(30)36-26)15-20-16-24-25(35-18-34-24)17-23(20)29(31)32/h10-13,15-17H,2-9,14,18H2,1H3/b22-15-