3-[(4-bromanyl-2-ethyl-phenyl)methylamino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(4-bromanyl-2-ethyl-phenyl)methylamino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(4-bromo-2-ethyl-phenyl)methylamino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[(4-bromo-2-ethylphenyl)methylamino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(4-bromo-2-ethylphenyl)methylamino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(4-bromo-2-ethyl-benzyl)amino]-4-(tert-butylamino)cyclobut-3-ene-1,2-quinone Formula: C17H21BrN2O2 MolecularWeight: 365.26484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)CNC2=C(C(=O)C2=O)NC(C)(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)CNC2=C(C(=O)C2=O)NC(C)(C)C

InChI

InChI=1S/C17H21BrN2O2/c1-5-10-8-12(18)7-6-11(10)9-19-13-14(16(22)15(13)21)20-17(2,3)4/h6-8,19-20H,5,9H2,1-4H3