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4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-benzenecarbonitrile

4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-benzenecarbonitrile

Systemtic Name:4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-benzenecarbonitrile
Openeye Name:4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-benzonitrile
CAS Name:4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrobenzonitrile
IUPAC Name:4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrobenzonitrile
Traditional Name:3-nitro-4-(piperonylamino)benzonitrile
Formula: C15H11N3O4
MolecularWeight: 297.26554
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]


InChI

InChI=1S/C15H11N3O4/c16-7-10-1-3-12(13(5-10)18(19)20)17-8-11-2-4-14-15(6-11)22-9-21-14/h1-6,17H,8-9H2


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