(5-phenyl-1,2-oxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H12N2O7 MolecularWeight: 368.29708

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O7/c21-18(13-7-16-17(26-10-25-16)8-14(13)20(22)23)24-9-12-6-15(27-19-12)11-4-2-1-3-5-11/h1-8H,9-10H2