(2R)-2-(ethylazaniumyl)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(ethylazaniumyl)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(ethylammonio)-4-(4-fluoroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(ethylammonio)-4-(4-fluoroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(ethylazaniumyl)-4-(4-fluoroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(ethylammonio)-4-(4-fluoroanilino)-4-keto-butyrate Formula: C12H15FN2O3 MolecularWeight: 254.257503

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C(CC(=O)NC1=CC=C(C=C1)F)C(=O)[O-]

Isomeric SMILES

CC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)F)C(=O)[O-]

InChI

InChI=1S/C12H15FN2O3/c1-2-14-10(12(17)18)7-11(16)15-9-5-3-8(13)4-6-9/h3-6,10,14H,2,7H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1