4-(4-methoxyphenyl)-5-nitro-pentan-2-one

Systemtic Name: 4-(4-methoxyphenyl)-5-nitro-pentan-2-one Openeye Name: 4-(4-methoxyphenyl)-5-nitro-pentan-2-one CAS Name: 4-(4-methoxyphenyl)-5-nitro-2-pentanone IUPAC Name: 4-(4-methoxyphenyl)-5-nitropentan-2-one Traditional Name: 4-(4-methoxyphenyl)-5-nitro-pentan-2-one Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-9(14)7-11(8-13(15)16)10-3-5-12(17-2)6-4-10/h3-6,11H,7-8H2,1-2H3