4-(nitromethyl)-6-phenyl-hex-5-yn-2-one

Systemtic Name: 4-(nitromethyl)-6-phenyl-hex-5-yn-2-one Openeye Name: 4-(nitromethyl)-6-phenyl-hex-5-yn-2-one CAS Name: 4-(nitromethyl)-6-phenyl-5-hexyn-2-one IUPAC Name: 4-(nitromethyl)-6-phenylhex-5-yn-2-one Traditional Name: 4-(nitromethyl)-6-phenyl-hex-5-yn-2-one Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-11(15)9-13(10-14(16)17)8-7-12-5-3-2-4-6-12/h2-6,13H,9-10H2,1H3