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3-[(3-imidazol-1-yl-2-nitro-phenyl)amino]propanenitrile

3-[(3-imidazol-1-yl-2-nitro-phenyl)amino]propanenitrile

Systemtic Name:3-[(3-imidazol-1-yl-2-nitro-phenyl)amino]propanenitrile
Openeye Name:3-(3-imidazol-1-yl-2-nitro-anilino)propanenitrile
CAS Name:3-[3-(1-imidazolyl)-2-nitroanilino]propanenitrile
IUPAC Name:3-(3-imidazol-1-yl-2-nitroanilino)propanenitrile
Traditional Name:3-(3-imidazol-1-yl-2-nitro-anilino)propionitrile
Formula: C12H11N5O2
MolecularWeight: 257.24804
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NCCC#N)[N+](=O)[O-])N2C=CN=C2


Isomeric SMILES

C1=CC(=C(C(=C1)NCCC#N)[N+](=O)[O-])N2C=CN=C2


InChI

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


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