3-(1-hydroxyethyl)-7-nitro-isochromen-1-one

Systemtic Name: 3-(1-hydroxyethyl)-7-nitro-isochromen-1-one Openeye Name: 3-(1-hydroxyethyl)-7-nitro-isochromen-1-one CAS Name: 3-(1-hydroxyethyl)-7-nitro-2-benzopyran-1-one IUPAC Name: 3-(1-hydroxyethyl)-7-nitroisochromen-1-one Traditional Name: 3-(1-hydroxyethyl)-7-nitro-isocoumarin Formula: C11H9NO5 MolecularWeight: 235.19286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO5/c1-6(13)10-4-7-2-3-8(12(15)16)5-9(7)11(14)17-10/h2-6,13H,1H3