3-[[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]amino]-4-[[3-(trifluoromethyl)phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]amino]-4-[[3-(trifluoromethyl)phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-bromo-2-(2H-tetrazol-5-yl)anilino]-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-[4-bromo-2-(2H-tetrazol-5-yl)anilino]-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-bromo-2-(2H-tetrazol-5-yl)anilino]-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-bromo-2-(2H-tetrazol-5-yl)anilino]-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-quinone Formula: C18H10BrF3N6O2 MolecularWeight: 479.21021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=O)C2=O)NC3=C(C=C(C=C3)Br)C4=NNN=N4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=O)C2=O)NC3=C(C=C(C=C3)Br)C4=NNN=N4)C(F)(F)F

InChI

InChI=1S/C18H10BrF3N6O2/c19-9-4-5-12(11(7-9)17-25-27-28-26-17)24-14-13(15(29)16(14)30)23-10-3-1-2-8(6-10)18(20,21)22/h1-7,23-24H,(H,25,26,27,28)