4-[[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C19H15ClFNO3 MolecularWeight: 359.778703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl)C(=O)[O-]

InChI

InChI=1S/C19H15ClFNO3/c20-16-9-14(5-7-17(16)21)18-8-6-15(25-18)11-22-10-12-1-3-13(4-2-12)19(23)24/h1-9,22H,10-11H2,(H,23,24)