(3E)-5-nitro-3-(phenylmethylidene)hexan-2-one

Systemtic Name: (3E)-5-nitro-3-(phenylmethylidene)hexan-2-one Openeye Name: (3E)-3-benzylidene-5-nitro-hexan-2-one CAS Name: (3E)-5-nitro-3-(phenylmethylene)-2-hexanone IUPAC Name: (3E)-3-benzylidene-5-nitrohexan-2-one Traditional Name: (E)-3-(2-nitropropyl)-4-phenyl-but-3-en-2-one Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C/C(=C\C1=CC=CC=C1)/C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-10(14(16)17)8-13(11(2)15)9-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3/b13-9+