1,3-benzoxazol-2-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C16H10N2O7 MolecularWeight: 342.2598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O7/c19-16(22-7-15-17-10-3-1-2-4-12(10)25-15)9-5-13-14(24-8-23-13)6-11(9)18(20)21/h1-6H,7-8H2