4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzonitrile CAS Name: 4-[3-(1-imidazolyl)propylamino]-3-nitrobenzonitrile IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-3-nitrobenzonitrile Traditional Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzonitrile Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCN2C=CN=C2

InChI

InChI=1S/C13H13N5O2/c14-9-11-2-3-12(13(8-11)18(19)20)16-4-1-6-17-7-5-15-10-17/h2-3,5,7-8,10,16H,1,4,6H2