(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(3,5-dinitrophenyl)oxazol-5-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,5-dinitrophenyl)-5-oxazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one Traditional Name: (4E)-2-(3,5-dinitrophenyl)-4-piperonylidene-2-oxazolin-5-one Formula: C17H9N3O8 MolecularWeight: 383.26866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)OC(=N3)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)OC(=N3)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H9N3O8/c21-17-13(3-9-1-2-14-15(4-9)27-8-26-14)18-16(28-17)10-5-11(19(22)23)7-12(6-10)20(24)25/h1-7H,8H2/b13-3+