4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-4-methyl-anilino)-2-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-4-methylanilino)-2-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-4-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloro-4-methyl-anilino)-2-(2-furfurylamino)-4-keto-butyric acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O4/c1-10-4-5-11(7-13(10)17)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)