3-(4-bromophenyl)-4-(3,3-dimethylbutylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-bromophenyl)-4-(3,3-dimethylbutylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-bromophenyl)-4-(3,3-dimethylbutylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-bromophenyl)-4-(3,3-dimethylbutylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-bromophenyl)-4-(3,3-dimethylbutylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-bromophenyl)-4-(3,3-dimethylbutylamino)cyclobut-3-ene-1,2-quinone Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC1=C(C(=O)C1=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)CCNC1=C(C(=O)C1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrNO2/c1-16(2,3)8-9-18-13-12(14(19)15(13)20)10-4-6-11(17)7-5-10/h4-7,18H,8-9H2,1-3H3