3-[(4-methylphenyl)-[(4-nitrophenyl)methyl]amino]propanenitrile

Systemtic Name: 3-[(4-methylphenyl)-[(4-nitrophenyl)methyl]amino]propanenitrile Openeye Name: 3-[4-methyl-N-[(4-nitrophenyl)methyl]anilino]propanenitrile CAS Name: 3-[4-methyl-N-[(4-nitrophenyl)methyl]anilino]propanenitrile IUPAC Name: 3-[4-methyl-N-[(4-nitrophenyl)methyl]anilino]propanenitrile Traditional Name: 3-(4-methyl-N-(4-nitrobenzyl)anilino)propionitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O2/c1-14-3-7-16(8-4-14)19(12-2-11-18)13-15-5-9-17(10-6-15)20(21)22/h3-10H,2,12-13H2,1H3