6,7-bis(oxidanyl)-3-[[(phenylmethyl)amino]methyl]-3H-2-benzofuran-1-one hydrobromide

Systemtic Name: 6,7-bis(oxidanyl)-3-[[(phenylmethyl)amino]methyl]-3H-2-benzofuran-1-one hydrobromide Openeye Name: 3-[(benzylamino)methyl]-6,7-dihydroxy-3H-isobenzofuran-1-one hydrobromide CAS Name: 6,7-dihydroxy-3-[[(phenylmethyl)amino]methyl]-3H-isobenzofuran-1-one hydrobromide IUPAC Name: 3-[(benzylamino)methyl]-6,7-dihydroxy-3H-2-benzofuran-1-one hydrobromide Traditional Name: 3-[(benzylamino)methyl]-6,7-dihydroxy-phthalide hydrobromide Formula: C16H16BrNO4 MolecularWeight: 366.20654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2C3=C(C(=C(C=C3)O)O)C(=O)O2.Br

Isomeric SMILES

C1=CC=C(C=C1)CNCC2C3=C(C(=C(C=C3)O)O)C(=O)O2.Br

InChI

InChI=1S/C16H15NO4.BrH/c18-12-7-6-11-13(21-16(20)14(11)15(12)19)9-17-8-10-4-2-1-3-5-10;/h1-7,13,17-19H,8-9H2;1H