1-(3-methoxyphenyl)-5-nitro-pentan-2-one

Systemtic Name: 1-(3-methoxyphenyl)-5-nitro-pentan-2-one Openeye Name: 1-(3-methoxyphenyl)-5-nitro-pentan-2-one CAS Name: 1-(3-methoxyphenyl)-5-nitro-2-pentanone IUPAC Name: 1-(3-methoxyphenyl)-5-nitropentan-2-one Traditional Name: 1-(3-methoxyphenyl)-5-nitro-pentan-2-one Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)CCC[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)CCC[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-17-12-6-2-4-10(9-12)8-11(14)5-3-7-13(15)16/h2,4,6,9H,3,5,7-8H2,1H3