2-[[2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-benzyl-2-hydroxy-4-oxo-pyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2-hydroxy-4-oxo-1-(phenylmethyl)-3-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-benzyl-2-hydroxy-4-oxopyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-benzyl-2-hydroxy-4-keto-pyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)C3=CC=CN32)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)C3=CC=CN32)C(=O)NCC(=O)O)O

InChI

InChI=1S/C17H15N3O5/c21-13(22)9-18-16(24)14-15(23)12-7-4-8-19(12)20(17(14)25)10-11-5-2-1-3-6-11/h1-8,25H,9-10H2,(H,18,24)(H,21,22)