3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperidino)propan-1-one Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-15-8-10-22(11-9-15)21(25)7-4-16-2-5-19(6-3-16)30-20-13-17(23(26)27)12-18(14-20)24(28)29/h2-3,5-6,12-15H,4,7-11H2,1H3