7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C10H10N2O4 MolecularWeight: 222.1974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H10N2O4/c13-10(14)9-4-6-1-2-8(12(15)16)3-7(6)5-11-9/h1-3,9,11H,4-5H2,(H,13,14)