(2R)-4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2R)-4-(5-chloro-2-methyl-anilino)-2-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: (2R)-4-(5-chloro-2-methylanilino)-2-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: (2R)-4-(5-chloro-2-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: (2R)-4-(5-chloro-2-methyl-anilino)-2-(2-furfurylamino)-4-keto-butyric acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[C@H](C(=O)O)NCC2=CC=CO2

InChI

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