4-methyl-4-nitro-1-phenyl-pentan-1-one

Systemtic Name: 4-methyl-4-nitro-1-phenyl-pentan-1-one Openeye Name: 4-methyl-4-nitro-1-phenyl-pentan-1-one CAS Name: 4-methyl-4-nitro-1-phenyl-1-pentanone IUPAC Name: 4-methyl-4-nitro-1-phenylpentan-1-one Traditional Name: 4-methyl-4-nitro-1-phenyl-pentan-1-one Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-12(2,13(15)16)9-8-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3