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

Systemtic Name: 1-[4-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[2,4-dinitro-5-(1-piperidylamino)phenoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2,4-dinitro-5-(1-piperidinylamino)phenoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2,4-dinitro-5-(piperidinoamino)phenoxy]-3-methoxy-phenyl]ethanone Formula: C20H22N4O7 MolecularWeight: 430.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O7/c1-13(25)14-6-7-18(20(10-14)30-2)31-19-11-15(21-22-8-4-3-5-9-22)16(23(26)27)12-17(19)24(28)29/h6-7,10-12,21H,3-5,8-9H2,1-2H3