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

Systemtic Name: (3Z)-5-(4-methylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]furan-2-one Openeye Name: (3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-5-(p-tolyl)furan-2-one CAS Name: (3Z)-5-(4-methylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-furanone IUPAC Name: (3Z)-5-(4-methylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]furan-2-one Traditional Name: (3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-5-(p-tolyl)furan-2-one Formula: C19H13NO6 MolecularWeight: 351.30962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)O2

InChI

InChI=1S/C19H13NO6/c1-11-2-4-12(5-3-11)16-8-14(19(21)26-16)6-13-7-17-18(25-10-24-17)9-15(13)20(22)23/h2-9H,10H2,1H3/b14-6-