4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-(homopiperonylamino)-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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