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

Systemtic Name: 3-(tert-butylamino)-4-[(3-chloranyl-4-methyl-phenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(tert-butylamino)-4-[(3-chloro-4-methyl-phenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(tert-butylamino)-4-[(3-chloro-4-methylphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(tert-butylamino)-4-[(3-chloro-4-methylphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-butylamino)-4-[(3-chloro-4-methyl-benzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C(C(=O)C2=O)NC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C(C(=O)C2=O)NC(C)(C)C)Cl

InChI

InChI=1S/C16H19ClN2O2/c1-9-5-6-10(7-11(9)17)8-18-12-13(15(21)14(12)20)19-16(2,3)4/h5-7,18-19H,8H2,1-4H3