2-[4-[(4-methyl-3-nitro-phenyl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(4-methyl-3-nitro-phenyl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(4-methyl-3-nitro-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(4-methyl-3-nitrophenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(4-methyl-3-nitrophenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(4-methyl-3-nitro-benzyl)amino]phenyl]acetonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O2/c1-12-2-3-14(10-16(12)19(20)21)11-18-15-6-4-13(5-7-15)8-9-17/h2-7,10,18H,8,11H2,1H3