2-(4-ethanoyl-2-nitro-phenoxy)-2-methyl-propanal

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenoxy)-2-methyl-propanal Openeye Name: 2-(4-acetyl-2-nitro-phenoxy)-2-methyl-propanal CAS Name: 2-(4-acetyl-2-nitrophenoxy)-2-methylpropanal IUPAC Name: 2-(4-acetyl-2-nitrophenoxy)-2-methylpropanal Traditional Name: 2-(4-acetyl-2-nitro-phenoxy)-2-methyl-propionaldehyde Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(15)9-4-5-11(10(6-9)13(16)17)18-12(2,3)7-14/h4-7H,1-3H3