5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-2-(pyridin-3-ylmethylamino)benzoic acid

Systemtic Name: 5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-2-(pyridin-3-ylmethylamino)benzoic acid Openeye Name: 5-[(4-hydroxy-4-oxo-butanoyl)amino]-2-(3-pyridylmethylamino)benzoic acid CAS Name: 5-[(4-hydroxy-1,4-dioxobutyl)amino]-2-(3-pyridinylmethylamino)benzoic acid IUPAC Name: 5-[(4-hydroxy-4-oxobutanoyl)amino]-2-(pyridin-3-ylmethylamino)benzoic acid Traditional Name: 5-[(4-hydroxy-4-keto-butanoyl)amino]-2-(3-pyridylmethylamino)benzoic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H17N3O5/c21-15(5-6-16(22)23)20-12-3-4-14(13(8-12)17(24)25)19-10-11-2-1-7-18-9-11/h1-4,7-9,19H,5-6,10H2,(H,20,21)(H,22,23)(H,24,25)