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

Systemtic Name: 2-(4-methoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(4-methoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: 2-(4-methoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: 2-(4-methoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(4-methoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-5-one Formula: C18H12N2O7 MolecularWeight: 368.29708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

InChI

InChI=1S/C18H12N2O7/c1-24-12-4-2-10(3-5-12)17-19-13(18(21)27-17)6-11-7-15-16(26-9-25-15)8-14(11)20(22)23/h2-8H,9H2,1H3