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

Systemtic Name: 5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C10H10N2O4 MolecularWeight: 222.1974

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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)8-4-7-6(5-11-8)2-1-3-9(7)12(15)16/h1-3,8,11H,4-5H2,(H,13,14)