1-(4-methyl-3-nitro-phenyl)butane-1,3-dione

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)butane-1,3-dione Openeye Name: 1-(4-methyl-3-nitro-phenyl)butane-1,3-dione CAS Name: 1-(4-methyl-3-nitrophenyl)butane-1,3-dione IUPAC Name: 1-(4-methyl-3-nitrophenyl)butane-1,3-dione Traditional Name: 1-(4-methyl-3-nitro-phenyl)butane-1,3-dione Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4/c1-7-3-4-9(6-10(7)12(15)16)11(14)5-8(2)13/h3-4,6H,5H2,1-2H3