4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]-3-nitro-benzonitrile Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N4O6/c1-26-16-8-12(14(20(22)23)9-17(16)27-2)5-6-19-13-4-3-11(10-18)7-15(13)21(24)25/h3-4,7-9,19H,5-6H2,1-2H3