1-[3-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]phenyl]ethanone

Systemtic Name: 1-[3-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]phenyl]ethanone Openeye Name: 1-[3-[2,4-dinitro-5-(1-piperidylamino)phenoxy]phenyl]ethanone CAS Name: 1-[3-[2,4-dinitro-5-(1-piperidinylamino)phenoxy]phenyl]ethanone IUPAC Name: 1-[3-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]phenyl]ethanone Traditional Name: 1-[3-[2,4-dinitro-5-(piperidinoamino)phenoxy]phenyl]ethanone Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6/c1-13(24)14-6-5-7-15(10-14)29-19-11-16(20-21-8-3-2-4-9-21)17(22(25)26)12-18(19)23(27)28/h5-7,10-12,20H,2-4,8-9H2,1H3