4-[2-[(3-cyanophenyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(3-cyanophenyl)amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-(3-cyanoanilino)acetyl]amino]benzoic acid CAS Name: 4-[[2-(3-cyanoanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-cyanoanilino)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(3-cyanoanilino)acetyl]amino]benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C16H13N3O3/c17-9-11-2-1-3-14(8-11)18-10-15(20)19-13-6-4-12(5-7-13)16(21)22/h1-8,18H,10H2,(H,19,20)(H,21,22)