3-[4-(3,5-dinitrophenoxy)phenyl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one Openeye Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[(2S)-2-methyl-1-piperidyl]propan-1-one CAS Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[(2S)-2-methyl-1-piperidinyl]-1-propanone IUPAC Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one Traditional Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-[(2S)-2-methylpiperidino]propan-1-one Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-15-4-2-3-11-22(15)21(25)10-7-16-5-8-19(9-6-16)30-20-13-17(23(26)27)12-18(14-20)24(28)29/h5-6,8-9,12-15H,2-4,7,10-11H2,1H3/t15-/m0/s1