2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoic acid

Systemtic Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoic acid Openeye Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid CAS Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid IUPAC Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid Traditional Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid Formula: C11H12N2O4 MolecularWeight: 236.22398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CNC(C2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C11H12N2O4/c14-11(15)6-10-9-5-8(13(16)17)2-1-7(9)3-4-12-10/h1-2,5,10,12H,3-4,6H2,(H,14,15)