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

Systemtic Name: (4E)-2-(5-methylthiophen-2-yl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(5-methyl-2-thienyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: (4E)-2-(5-methyl-2-thiophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(5-methylthiophen-2-yl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(5-methyl-2-thienyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-5-one Formula: C16H10N2O6S MolecularWeight: 358.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

CC1=CC=C(S1)C2=N/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)O2

InChI

InChI=1S/C16H10N2O6S/c1-8-2-3-14(25-8)15-17-10(16(19)24-15)4-9-5-12-13(23-7-22-12)6-11(9)18(20)21/h2-6H,7H2,1H3/b10-4+