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

Systemtic Name: (4E)-2-(4-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(4-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: (4E)-2-(4-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(4-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-p-phenetyl-2-oxazolin-5-one Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=N/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)O2

InChI

InChI=1S/C19H14N2O7/c1-2-25-13-5-3-11(4-6-13)18-20-14(19(22)28-18)7-12-8-16-17(27-10-26-16)9-15(12)21(23)24/h3-9H,2,10H2,1H3/b14-7+