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2-(1,3-benzodioxol-4-ylmethyl)-5-nitro-3H-isoindol-1-one

2-(1,3-benzodioxol-4-ylmethyl)-5-nitro-3H-isoindol-1-one

Systemtic Name:2-(1,3-benzodioxol-4-ylmethyl)-5-nitro-3H-isoindol-1-one
Openeye Name:2-(1,3-benzodioxol-4-ylmethyl)-5-nitro-isoindolin-1-one
CAS Name:2-(1,3-benzodioxol-4-ylmethyl)-5-nitro-3H-isoindol-1-one
IUPAC Name:2-(1,3-benzodioxol-4-ylmethyl)-5-nitro-3H-isoindol-1-one
Traditional Name:2-(1,3-benzodioxol-4-ylmethyl)-5-nitro-isoindolin-1-one
Formula: C16H12N2O5
MolecularWeight: 312.27688
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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1CC3=C4C(=CC=C3)OCO4


Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1CC3=C4C(=CC=C3)OCO4


InChI

InChI=1S/C16H12N2O5/c19-16-13-5-4-12(18(20)21)6-11(13)8-17(16)7-10-2-1-3-14-15(10)23-9-22-14/h1-6H,7-9H2


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