4-[2-(4-nitrobutylamino)ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-(4-nitrobutylamino)ethyl]benzene-1,2-diol Openeye Name: 4-[2-(4-nitrobutylamino)ethyl]benzene-1,2-diol CAS Name: 4-[2-(4-nitrobutylamino)ethyl]benzene-1,2-diol IUPAC Name: 4-[2-(4-nitrobutylamino)ethyl]benzene-1,2-diol Traditional Name: 4-[2-(4-nitrobutylamino)ethyl]pyrocatechol Formula: C12H18N2O4 MolecularWeight: 254.28232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNCCCC[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1CCNCCCC[N+](=O)[O-])O)O

InChI

InChI=1S/C12H18N2O4/c15-11-4-3-10(9-12(11)16)5-7-13-6-1-2-8-14(17)18/h3-4,9,13,15-16H,1-2,5-8H2