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3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol

3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol

Systemtic Name:3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol
Openeye Name:3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol
CAS Name:3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol
IUPAC Name:3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol
Traditional Name:3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol
Formula: C22H31N3O4
MolecularWeight: 401.49924
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)[N+](=O)[O-]


InChI

InChI=1S/C22H31N3O4/c26-20-11-10-19(21(22(20)27)25(28)29)13-17-24-15-7-2-1-6-14-23-16-12-18-8-4-3-5-9-18/h3-5,8-11,23-24,26-27H,1-2,6-7,12-17H2


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