4-[4-[3-[4-(methoxymethyl)piperidin-1-yl]-4-nitro-phenoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-[4-(methoxymethyl)piperidin-1-yl]-4-nitro-phenoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-[4-(methoxymethyl)-1-piperidyl]-4-nitro-phenoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[4-(methoxymethyl)-1-piperidinyl]-4-nitrophenoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-[4-(methoxymethyl)piperidin-1-yl]-4-nitrophenoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-[4-(methoxymethyl)piperidino]-4-nitro-phenoxy]phenyl]butan-2-one Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])N3CCC(CC3)COC

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])N3CCC(CC3)COC

InChI

InChI=1S/C23H28N2O5/c1-17(26)3-4-18-5-7-20(8-6-18)30-21-9-10-22(25(27)28)23(15-21)24-13-11-19(12-14-24)16-29-2/h5-10,15,19H,3-4,11-14,16H2,1-2H3