3-[(5-bromanyl-2-oxidanyl-phenyl)-[(phenylmethyl)amino]methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[(5-bromanyl-2-oxidanyl-phenyl)-[(phenylmethyl)amino]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(benzylamino)-(5-bromo-2-hydroxy-phenyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(5-bromo-2-hydroxyphenyl)-[(phenylmethyl)amino]methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(benzylamino)-(5-bromo-2-hydroxyphenyl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(benzylamino)-(5-bromo-2-hydroxy-phenyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C24H18BrNO4 MolecularWeight: 464.30802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2=C(C=CC(=C2)Br)O)C3=C(C4=CC=CC=C4C(=O)C3=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C2=C(C=CC(=C2)Br)O)C3=C(C4=CC=CC=C4C(=O)C3=O)O

InChI

InChI=1S/C24H18BrNO4/c25-15-10-11-19(27)18(12-15)21(26-13-14-6-2-1-3-7-14)20-22(28)16-8-4-5-9-17(16)23(29)24(20)30/h1-12,21,26-28H,13H2