phenacyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: phenacyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: phenacyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid phenacyl ester IUPAC Name: phenacyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid phenacyl ester Formula: C16H11NO7 MolecularWeight: 329.26104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO7/c18-13(10-4-2-1-3-5-10)8-22-16(19)11-6-14-15(24-9-23-14)7-12(11)17(20)21/h1-7H,8-9H2