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

Systemtic Name: 3-[(5-bromanyl-2-oxidanyl-phenyl)-(butylamino)methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(5-bromo-2-hydroxy-phenyl)-(butylamino)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(5-bromo-2-hydroxyphenyl)-(butylamino)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(5-bromo-2-hydroxyphenyl)-(butylamino)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(5-bromo-2-hydroxy-phenyl)-(butylamino)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=C(C=CC(=C1)Br)O)C2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCCCNC(C1=C(C=CC(=C1)Br)O)C2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C21H20BrNO4/c1-2-3-10-23-18(15-11-12(22)8-9-16(15)24)17-19(25)13-6-4-5-7-14(13)20(26)21(17)27/h4-9,11,18,23-25H,2-3,10H2,1H3