1-(2-methyl-6-nitro-phenyl)pentane-1,3-dione

Systemtic Name: 1-(2-methyl-6-nitro-phenyl)pentane-1,3-dione Openeye Name: 1-(2-methyl-6-nitro-phenyl)pentane-1,3-dione CAS Name: 1-(2-methyl-6-nitrophenyl)pentane-1,3-dione IUPAC Name: 1-(2-methyl-6-nitrophenyl)pentane-1,3-dione Traditional Name: 1-(2-methyl-6-nitro-phenyl)pentane-1,3-dione Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-3-9(14)7-11(15)12-8(2)5-4-6-10(12)13(16)17/h4-6H,3,7H2,1-2H3