3-[[1-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[1-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[1-(3-chloro-4-fluoro-phenyl)-2-hydroxy-ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[1-(3-chloro-4-fluoro-phenyl)-2-hydroxy-ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C17H13ClFN3O3 MolecularWeight: 361.754823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CO)NC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C(CO)NC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl)F

InChI

InChI=1S/C17H13ClFN3O3/c18-11-7-9(1-2-12(11)19)13(8-23)22-15-14(16(24)17(15)25)21-10-3-5-20-6-4-10/h1-7,13,22-23H,8H2,(H,20,21)