5-[[(3-chloranyl-2-methyl-phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(3-chloranyl-2-methyl-phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(3-chloro-2-methyl-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(3-chloro-2-methylanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3-chloro-2-methylanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(3-chloro-2-methyl-anilino)methyl]-2-furoic acid Formula: C13H12ClNO3 MolecularWeight: 265.69228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H12ClNO3/c1-8-10(14)3-2-4-11(8)15-7-9-5-6-12(18-9)13(16)17/h2-6,15H,7H2,1H3,(H,16,17)