3-[butylamino-(2,4-dichlorophenyl)methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[butylamino-(2,4-dichlorophenyl)methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[butylamino-(2,4-dichlorophenyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[butylamino-(2,4-dichlorophenyl)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[butylamino-(2,4-dichlorophenyl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[butylamino-(2,4-dichlorophenyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C21H19Cl2NO3 MolecularWeight: 404.28646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2NO3/c1-2-3-10-24-18(15-9-8-12(22)11-16(15)23)17-19(25)13-6-4-5-7-14(13)20(26)21(17)27/h4-9,11,18,24-25H,2-3,10H2,1H3