2-[[6-chloranyl-1-(3,3-dimethylbutyl)-2-oxidanyl-4-oxidanylidene-1,8-naphthyridin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-chloranyl-1-(3,3-dimethylbutyl)-2-oxidanyl-4-oxidanylidene-1,8-naphthyridin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-chloro-1-(3,3-dimethylbutyl)-2-hydroxy-4-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6-chloro-1-(3,3-dimethylbutyl)-2-hydroxy-4-oxo-1,8-naphthyridin-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-chloro-1-(3,3-dimethylbutyl)-2-hydroxy-4-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[6-chloro-1-(3,3-dimethylbutyl)-2-hydroxy-4-keto-1,8-naphthyridine-3-carbonyl]amino]acetic acid Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1C(=C(C(=O)C2=CC(=CN=C21)Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

CC(C)(C)CCN1C(=C(C(=O)C2=CC(=CN=C21)Cl)C(=O)NCC(=O)O)O

InChI

InChI=1S/C17H20ClN3O5/c1-17(2,3)4-5-21-14-10(6-9(18)7-19-14)13(24)12(16(21)26)15(25)20-8-11(22)23/h6-7,26H,4-5,8H2,1-3H3,(H,20,25)(H,22,23)