1-[(3-nitro-4-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[(3-nitro-4-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(4-hydroxy-3-nitro-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[(4-hydroxy-3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(4-hydroxy-3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(4-hydroxy-3-nitro-benzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

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