1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5/c19-15-7-10-5-6-17-14(13(10)8-16(15)20)9-23-12-3-1-11(2-4-12)18(21)22/h1-4,7-8,14,17,19-20H,5-6,9H2