(1-phenylpyrazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c22-18(14-6-16-17(27-11-26-16)7-15(14)21(23)24)25-10-12-8-19-20(9-12)13-4-2-1-3-5-13/h1-9H,10-11H2