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

Systemtic Name: 3-(4-bromophenyl)-4-(2-oxidanylpropylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-bromophenyl)-4-(2-hydroxypropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-bromophenyl)-4-(2-hydroxypropylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-bromophenyl)-4-(2-hydroxypropylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-bromophenyl)-4-(2-hydroxypropylamino)cyclobut-3-ene-1,2-quinone Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C(=O)C1=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(CNC1=C(C(=O)C1=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H12BrNO3/c1-7(16)6-15-11-10(12(17)13(11)18)8-2-4-9(14)5-3-8/h2-5,7,15-16H,6H2,1H3