3-[2-[(4-chlorophenyl)methylazaniumyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(4-chlorophenyl)methylazaniumyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(4-chlorophenyl)methylammonio]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-chlorophenyl)methylammonio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(4-chlorophenyl)methylazaniumyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-chlorobenzyl)ammonio]acetyl]amino]benzoate Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C[NH2+]CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C[NH2+]CC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H15ClN2O3/c17-13-6-4-11(5-7-13)9-18-10-15(20)19-14-3-1-2-12(8-14)16(21)22/h1-8,18H,9-10H2,(H,19,20)(H,21,22)