(E)-4,4-dimethyl-1-(3-nitrophenyl)pent-1-en-3-one

Systemtic Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)pent-1-en-3-one Openeye Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)pent-1-en-3-one CAS Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)-1-penten-3-one IUPAC Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)pent-1-en-3-one Traditional Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)pent-1-en-3-one Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-13(2,3)12(15)8-7-10-5-4-6-11(9-10)14(16)17/h4-9H,1-3H3/b8-7+