2-[3-nitro-4-(phenylmethyl)phenyl]ethanenitrile

Systemtic Name: 2-[3-nitro-4-(phenylmethyl)phenyl]ethanenitrile Openeye Name: 2-(4-benzyl-3-nitro-phenyl)acetonitrile CAS Name: 2-[3-nitro-4-(phenylmethyl)phenyl]acetonitrile IUPAC Name: 2-(4-benzyl-3-nitrophenyl)acetonitrile Traditional Name: 2-(4-benzyl-3-nitro-phenyl)acetonitrile Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O2/c16-9-8-13-6-7-14(15(11-13)17(18)19)10-12-4-2-1-3-5-12/h1-7,11H,8,10H2