2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]propane-1,3-diol

Systemtic Name: 2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]propane-1,3-diol Openeye Name: 2-[4-(benzylamino)-2-nitro-1-naphthyl]propane-1,3-diol CAS Name: 2-[2-nitro-4-[(phenylmethyl)amino]-1-naphthalenyl]propane-1,3-diol IUPAC Name: 2-[4-(benzylamino)-2-nitronaphthalen-1-yl]propane-1,3-diol Traditional Name: 2-[4-(benzylamino)-2-nitro-1-naphthyl]propane-1,3-diol Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C3=CC=CC=C32)C(CO)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C3=CC=CC=C32)C(CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4/c23-12-15(13-24)20-17-9-5-4-8-16(17)18(10-19(20)22(25)26)21-11-14-6-2-1-3-7-14/h1-10,15,21,23-24H,11-13H2