5-[[(3-chloranyl-4-methyl-phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(3-chloranyl-4-methyl-phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(3-chloro-4-methyl-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(3-chloro-4-methylanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3-chloro-4-methylanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(3-chloro-4-methyl-anilino)methyl]-2-furoic acid Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=C(O2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=C(O2)C(=O)O)Cl

InChI

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