(2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloro-2-methyl-anilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-2-methylanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloro-2-methylanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloro-2-methyl-anilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C16H17ClN2O4/c1-10-12(17)5-2-6-13(10)19-15(20)8-14(16(21)22)18-9-11-4-3-7-23-11/h2-7,14,18H,8-9H2,1H3,(H,19,20)(H,21,22)/t14-/m1/s1