1-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-(5-nitro-2-furyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-(5-nitro-2-furanyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-(5-nitro-2-furyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)C3=CC=C(O3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)C3=CC=C(O3)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H12N2O5.ClH/c16-9-5-7-3-4-14-13(8(7)6-10(9)17)11-1-2-12(20-11)15(18)19;/h1-2,5-6,13-14,16-17H,3-4H2;1H