(3E)-4-methyl-3-[(3-nitrophenyl)methylidene]pentan-2-one

Systemtic Name: (3E)-4-methyl-3-[(3-nitrophenyl)methylidene]pentan-2-one Openeye Name: (3E)-4-methyl-3-[(3-nitrophenyl)methylene]pentan-2-one CAS Name: (3E)-4-methyl-3-[(3-nitrophenyl)methylidene]-2-pentanone IUPAC Name: (3E)-4-methyl-3-[(3-nitrophenyl)methylidene]pentan-2-one Traditional Name: (E)-3-isopropyl-4-(3-nitrophenyl)but-3-en-2-one Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-9(2)13(10(3)15)8-11-5-4-6-12(7-11)14(16)17/h4-9H,1-3H3/b13-8+