ethanoic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propyl-amino]ethyl]benzene-1,2-diol

Systemtic Name: ethanoic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propyl-amino]ethyl]benzene-1,2-diol Openeye Name: acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propyl-amino]ethyl]benzene-1,2-diol CAS Name: acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propylamino]ethyl]benzene-1,2-diol IUPAC Name: acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propylamino]ethyl]benzene-1,2-diol Traditional Name: acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propyl-amino]ethyl]pyrocatechol Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCC2=CC(=C(C=C2)O)O.CC(=O)O

Isomeric SMILES

CCCN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCC2=CC(=C(C=C2)O)O.CC(=O)O

InChI

InChI=1S/C19H24N2O4.C2H4O2/c1-2-11-20(13-10-16-5-8-18(22)19(23)14-16)12-9-15-3-6-17(7-4-15)21(24)25;1-2(3)4/h3-8,14,22-23H,2,9-13H2,1H3;1H3,(H,3,4)