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7-nitro-2-(2-oxidanylidenebutoxy)-3,4-dihydroisoquinolin-1-one

7-nitro-2-(2-oxidanylidenebutoxy)-3,4-dihydroisoquinolin-1-one

Systemtic Name:7-nitro-2-(2-oxidanylidenebutoxy)-3,4-dihydroisoquinolin-1-one
Openeye Name:7-nitro-2-(2-oxobutoxy)-3,4-dihydroisoquinolin-1-one
CAS Name:7-nitro-2-(2-oxobutoxy)-3,4-dihydroisoquinolin-1-one
IUPAC Name:7-nitro-2-(2-oxobutoxy)-3,4-dihydroisoquinolin-1-one
Traditional Name:2-(2-ketobutoxy)-7-nitro-3,4-dihydroisocarbostyril
Formula: C13H14N2O5
MolecularWeight: 278.26066
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CON1CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CCC(=O)CON1CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C13H14N2O5/c1-2-11(16)8-20-14-6-5-9-3-4-10(15(18)19)7-12(9)13(14)17/h3-4,7H,2,5-6,8H2,1H3


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