7-nitro-3-(2-oxidanylpropan-2-yl)isochromen-1-one

Systemtic Name: 7-nitro-3-(2-oxidanylpropan-2-yl)isochromen-1-one Openeye Name: 3-(1-hydroxy-1-methyl-ethyl)-7-nitro-isochromen-1-one CAS Name: 3-(2-hydroxypropan-2-yl)-7-nitro-2-benzopyran-1-one IUPAC Name: 3-(2-hydroxypropan-2-yl)-7-nitroisochromen-1-one Traditional Name: 3-(1-hydroxy-1-methyl-ethyl)-7-nitro-isocoumarin Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)O

Isomeric SMILES

CC(C)(C1=CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)O

InChI

InChI=1S/C12H11NO5/c1-12(2,15)10-5-7-3-4-8(13(16)17)6-9(7)11(14)18-10/h3-6,15H,1-2H3