5-[[(4-fluoranyl-3-methyl-phenyl)amino]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(4-fluoranyl-3-methyl-phenyl)amino]methyl]furan-2-carboxylate Openeye Name: 5-[(4-fluoro-3-methyl-anilino)methyl]furan-2-carboxylate CAS Name: 5-[(4-fluoro-3-methylanilino)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate Traditional Name: 5-[(4-fluoro-3-methyl-anilino)methyl]-2-furoate Formula: C13H11FNO3- MolecularWeight: 248.229743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CC=C(O2)C(=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CC=C(O2)C(=O)[O-])F

InChI

InChI=1S/C13H12FNO3/c1-8-6-9(2-4-11(8)14)15-7-10-3-5-12(18-10)13(16)17/h2-6,15H,7H2,1H3,(H,16,17)/p-1