4-[(4-fluorophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate

Systemtic Name: 4-[(4-fluorophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate Openeye Name: 4-(4-fluoroanilino)-4-oxo-2-(2-pyridylmethylammonio)butanoate CAS Name: 4-(4-fluoroanilino)-4-oxo-2-(2-pyridinylmethylammonio)butanoate IUPAC Name: 4-(4-fluoroanilino)-4-oxo-2-(pyridin-2-ylmethylazaniumyl)butanoate Traditional Name: 4-(4-fluoroanilino)-4-keto-2-(2-pyridylmethylammonio)butyrate Formula: C16H16FN3O3 MolecularWeight: 317.314943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[NH2+]C(CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C[NH2+]C(CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C16H16FN3O3/c17-11-4-6-12(7-5-11)20-15(21)9-14(16(22)23)19-10-13-3-1-2-8-18-13/h1-8,14,19H,9-10H2,(H,20,21)(H,22,23)