3-ethanoyl-7-nitro-4-oxidanyl-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 3-ethanoyl-7-nitro-4-oxidanyl-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 3-acetyl-4-hydroxy-7-nitro-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 3-acetyl-4-hydroxy-7-nitro-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 3-acetyl-4-hydroxy-7-nitro-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 3-acetyl-4-hydroxy-7-nitro-3,4-dihydroisocarbostyril Formula: C11H10N2O5 MolecularWeight: 250.2075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1)O

Isomeric SMILES

CC(=O)C1C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1)O

InChI

InChI=1S/C11H10N2O5/c1-5(14)9-10(15)7-3-2-6(13(17)18)4-8(7)11(16)12-9/h2-4,9-10,15H,1H3,(H,12,16)