2-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-(homopiperonylamino)-5-nitro-benzonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O4/c17-9-12-8-13(19(20)21)2-3-14(12)18-6-5-11-1-4-15-16(7-11)23-10-22-15/h1-4,7-8,18H,5-6,10H2