2-(2,2-dimethoxyethylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(2,2-dimethoxyethylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(2,2-dimethoxyethylamino)-5-nitro-benzonitrile CAS Name: 2-(2,2-dimethoxyethylamino)-5-nitrobenzonitrile IUPAC Name: 2-(2,2-dimethoxyethylamino)-5-nitrobenzonitrile Traditional Name: 2-(2,2-dimethoxyethylamino)-5-nitro-benzonitrile Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C11H13N3O4/c1-17-11(18-2)7-13-10-4-3-9(14(15)16)5-8(10)6-12/h3-5,11,13H,7H2,1-2H3