2-[4-[2-nitro-4-(phenylcarbonyl)phenoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-nitro-4-(phenylcarbonyl)phenoxy]phenyl]ethanenitrile Openeye Name: 2-[4-(4-benzoyl-2-nitro-phenoxy)phenyl]acetonitrile CAS Name: 2-[4-(4-benzoyl-2-nitrophenoxy)phenyl]acetonitrile IUPAC Name: 2-[4-(4-benzoyl-2-nitrophenoxy)phenyl]acetonitrile Traditional Name: 2-[4-(4-benzoyl-2-nitro-phenoxy)phenyl]acetonitrile Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4/c22-13-12-15-6-9-18(10-7-15)27-20-11-8-17(14-19(20)23(25)26)21(24)16-4-2-1-3-5-16/h1-11,14H,12H2