3-ethynyl-N-[2-(4-nitrophenyl)ethyl]aniline

Systemtic Name: 3-ethynyl-N-[2-(4-nitrophenyl)ethyl]aniline Openeye Name: 3-ethynyl-N-[2-(4-nitrophenyl)ethyl]aniline CAS Name: 3-ethynyl-N-[2-(4-nitrophenyl)ethyl]aniline IUPAC Name: 3-ethynyl-N-[2-(4-nitrophenyl)ethyl]aniline Traditional Name: (3-ethynylphenyl)-[2-(4-nitrophenyl)ethyl]amine Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O2/c1-2-13-4-3-5-15(12-13)17-11-10-14-6-8-16(9-7-14)18(19)20/h1,3-9,12,17H,10-11H2