2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzonitrile Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCC2=CN=CN2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCC2=CN=CN2

InChI

InChI=1S/C12H11N5O2/c13-6-9-5-11(17(18)19)1-2-12(9)15-4-3-10-7-14-8-16-10/h1-2,5,7-8,15H,3-4H2,(H,14,16)