4-chloranyl-2-(furan-3-ylmethylamino)-5-methyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-3-ylmethylamino)-5-methyl-benzoic acid Openeye Name: 4-chloro-2-(3-furylmethylamino)-5-methyl-benzoic acid CAS Name: 4-chloro-2-(3-furanylmethylamino)-5-methylbenzoic acid IUPAC Name: 4-chloro-2-(furan-3-ylmethylamino)-5-methylbenzoic acid Traditional Name: 4-chloro-2-(3-furfurylamino)-5-methyl-benzoic acid Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)O)NCC2=COC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)O)NCC2=COC=C2)Cl

InChI

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