2-[[6,7-bis(chloranyl)-1-[(4-fluorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6,7-bis(chloranyl)-1-[(4-fluorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6,7-dichloro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxo-pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6,7-dichloro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxo-3-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6,7-dichloro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[6,7-dichloro-1-(4-fluorobenzyl)-2-hydroxy-4-keto-pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid Formula: C17H12Cl2FN3O5 MolecularWeight: 428.198683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=C(C(=O)C3=CC(=C(N32)Cl)Cl)C(=O)NCC(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CN2C(=C(C(=O)C3=CC(=C(N32)Cl)Cl)C(=O)NCC(=O)O)O)F

InChI

InChI=1S/C17H12Cl2FN3O5/c18-10-5-11-14(26)13(16(27)21-6-12(24)25)17(28)22(23(11)15(10)19)7-8-1-3-9(20)4-2-8/h1-5,28H,6-7H2,(H,21,27)(H,24,25)