3-(aminomethyl)-6,7-bis(oxidanyl)-3H-2-benzofuran-1-one

Systemtic Name: 3-(aminomethyl)-6,7-bis(oxidanyl)-3H-2-benzofuran-1-one Openeye Name: 3-(aminomethyl)-6,7-dihydroxy-3H-isobenzofuran-1-one CAS Name: 3-(aminomethyl)-6,7-dihydroxy-3H-isobenzofuran-1-one IUPAC Name: 3-(aminomethyl)-6,7-dihydroxy-3H-2-benzofuran-1-one Traditional Name: 3-(aminomethyl)-6,7-dihydroxy-phthalide Formula: C9H9NO4 MolecularWeight: 195.17206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C(OC2=O)CN)O)O

Isomeric SMILES

C1=CC(=C(C2=C1C(OC2=O)CN)O)O

InChI

InChI=1S/C9H9NO4/c10-3-6-4-1-2-5(11)8(12)7(4)9(13)14-6/h1-2,6,11-12H,3,10H2