2-methyl-4-nitro-1-(2-phenylethynyl)benzene

Systemtic Name: 2-methyl-4-nitro-1-(2-phenylethynyl)benzene Openeye Name: 2-methyl-4-nitro-1-(2-phenylethynyl)benzene CAS Name: 2-methyl-4-nitro-1-(2-phenylethynyl)benzene IUPAC Name: 2-methyl-4-nitro-1-(2-phenylethynyl)benzene Traditional Name: 2-methyl-4-nitro-1-(2-phenylethynyl)benzene Formula: C15H11NO2 MolecularWeight: 237.25334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO2/c1-12-11-15(16(17)18)10-9-14(12)8-7-13-5-3-2-4-6-13/h2-6,9-11H,1H3