1-(4-methoxyphenyl)-4-methyl-4-nitro-pentan-1-one

Systemtic Name: 1-(4-methoxyphenyl)-4-methyl-4-nitro-pentan-1-one Openeye Name: 1-(4-methoxyphenyl)-4-methyl-4-nitro-pentan-1-one CAS Name: 1-(4-methoxyphenyl)-4-methyl-4-nitro-1-pentanone IUPAC Name: 1-(4-methoxyphenyl)-4-methyl-4-nitropentan-1-one Traditional Name: 1-(4-methoxyphenyl)-4-methyl-4-nitro-pentan-1-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-13(2,14(16)17)9-8-12(15)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3