4-[(4-bromophenyl)amino]-3-methyl-6-(6-methylhept-5-en-2-yl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[(4-bromophenyl)amino]-3-methyl-6-(6-methylhept-5-en-2-yl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-(4-bromoanilino)-3-(1,5-dimethylhex-4-enyl)-4-hydroxy-6-methyl-1,2-benzoquinone CAS Name: 4-(4-bromoanilino)-5-hydroxy-3-methyl-6-(6-methylhept-5-en-2-yl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-(4-bromoanilino)-5-hydroxy-3-methyl-6-(6-methylhept-5-en-2-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 5-(4-bromoanilino)-3-(1,5-dimethylhex-4-enyl)-4-hydroxy-6-methyl-o-benzoquinone Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrNO3/c1-12(2)6-5-7-13(3)17-20(25)18(14(4)19(24)21(17)26)23-16-10-8-15(22)9-11-16/h6,8-11,13,23,25H,5,7H2,1-4H3