2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-nitro-2-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-nitro-2-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H13N3O4 MolecularWeight: 299.28142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=C(C=CC=N3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C3=C(C=CC=N3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13N3O4/c19-15(20)13-8-10-4-1-2-5-11(10)9-17(13)14-12(18(21)22)6-3-7-16-14/h1-7,13H,8-9H2,(H,19,20)