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

Systemtic Name: (4E)-2-(2-methylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(o-tolyl)oxazol-5-one CAS Name: (4E)-2-(2-methylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(2-methylphenyl)-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-(o-tolyl)-2-oxazolin-5-one Formula: C18H12N2O6 MolecularWeight: 352.29768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

CC1=CC=CC=C1C2=N/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)O2

InChI

InChI=1S/C18H12N2O6/c1-10-4-2-3-5-12(10)17-19-13(18(21)26-17)6-11-7-15-16(25-9-24-15)8-14(11)20(22)23/h2-8H,9H2,1H3/b13-6+