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

Systemtic Name: (4-cyanophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (4-cyanophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (4-cyanobenzyl) ester Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O6/c17-7-10-1-3-11(4-2-10)8-22-16(19)12-5-14-15(24-9-23-14)6-13(12)18(20)21/h1-6H,8-9H2