4-[1-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzenecarbonitrile Openeye Name: 4-[1-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzonitrile CAS Name: 4-[1-[(3-methyl-5-nitro-4-imidazolyl)amino]ethyl]benzonitrile IUPAC Name: 4-[1-[(3-methyl-5-nitroimidazol-4-yl)amino]ethyl]benzonitrile Traditional Name: 4-[1-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzonitrile Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O2/c1-9(11-5-3-10(7-14)4-6-11)16-13-12(18(19)20)15-8-17(13)2/h3-6,8-9,16H,1-2H3