1-[2-(4-chlorophenyl)ethynyl]-3-nitro-benzene

Systemtic Name: 1-[2-(4-chlorophenyl)ethynyl]-3-nitro-benzene Openeye Name: 1-[2-(4-chlorophenyl)ethynyl]-3-nitro-benzene CAS Name: 1-[2-(4-chlorophenyl)ethynyl]-3-nitrobenzene IUPAC Name: 1-[2-(4-chlorophenyl)ethynyl]-3-nitrobenzene Traditional Name: 1-[2-(4-chlorophenyl)ethynyl]-3-nitro-benzene Formula: C14H8ClNO2 MolecularWeight: 257.67182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8ClNO2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(10-12)16(17)18/h1-3,6-10H