(3E)-1-nitro-3-(phenylmethylidene)pentane-2,4-dione

Systemtic Name: (3E)-1-nitro-3-(phenylmethylidene)pentane-2,4-dione Openeye Name: (3E)-3-benzylidene-1-nitro-pentane-2,4-dione CAS Name: (3E)-1-nitro-3-(phenylmethylene)pentane-2,4-dione IUPAC Name: (3E)-3-benzylidene-1-nitropentane-2,4-dione Traditional Name: (3E)-3-benzal-1-nitro-pentane-2,4-dione Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4/c1-9(14)11(12(15)8-13(16)17)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b11-7+