3-[(2-chloranyl-6-methyl-phenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(2-chloranyl-6-methyl-phenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(2-chloro-6-methyl-phenyl)methylamino]-4-(1,1-dimethylpropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[(2-chloro-6-methylphenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(2-chloro-6-methylphenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-amylamino)-4-[(2-chloro-6-methyl-benzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=C(C=CC=C2Cl)C

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=C(C=CC=C2Cl)C

InChI

InChI=1S/C17H21ClN2O2/c1-5-17(3,4)20-14-13(15(21)16(14)22)19-9-11-10(2)7-6-8-12(11)18/h6-8,19-20H,5,9H2,1-4H3