2-(1-ethyl-5-nitro-isoquinolin-3-yl)ethanoate

Systemtic Name: 2-(1-ethyl-5-nitro-isoquinolin-3-yl)ethanoate Openeye Name: 2-(1-ethyl-5-nitro-3-isoquinolyl)acetate CAS Name: 2-(1-ethyl-5-nitro-3-isoquinolinyl)acetate IUPAC Name: 2-(1-ethyl-5-nitroisoquinolin-3-yl)acetate Traditional Name: 2-(1-ethyl-5-nitro-3-isoquinolyl)acetate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC=C(C2=CC(=N1)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C=CC=C(C2=CC(=N1)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-2-11-9-4-3-5-12(15(18)19)10(9)6-8(14-11)7-13(16)17/h3-6H,2,7H2,1H3,(H,16,17)/p-1