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

Systemtic Name: 3-[5-[[(4-carboxylatophenyl)methylazaniumyl]methyl]furan-2-yl]-4-chloranyl-benzoate Openeye Name: 3-[5-[[(4-carboxylatophenyl)methylammonio]methyl]-2-furyl]-4-chloro-benzoate CAS Name: 3-[5-[[(4-carboxylatophenyl)methylammonio]methyl]-2-furanyl]-4-chlorobenzoate IUPAC Name: 3-[5-[[(4-carboxylatophenyl)methylazaniumyl]methyl]furan-2-yl]-4-chlorobenzoate Traditional Name: 3-[5-[[(4-carboxylatobenzyl)ammonio]methyl]-2-furyl]-4-chloro-benzoate Formula: C20H15ClNO5- MolecularWeight: 384.7898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO5/c21-17-7-5-14(20(25)26)9-16(17)18-8-6-15(27-18)11-22-10-12-1-3-13(4-2-12)19(23)24/h1-9,22H,10-11H2,(H,23,24)(H,25,26)/p-1