(2R)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(2-hydroxy-5-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(2-hydroxy-5-methyl-anilino)-4-keto-butyrate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CC(C(=O)[O-])[NH2+]CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC=C

InChI

InChI=1S/C14H18N2O4/c1-3-6-15-11(14(19)20)8-13(18)16-10-7-9(2)4-5-12(10)17/h3-5,7,11,15,17H,1,6,8H2,2H3,(H,16,18)(H,19,20)/t11-/m1/s1