4-[2-[(3-cyanophenyl)amino]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(3-cyanophenyl)amino]ethanoylamino]benzoate Openeye Name: 4-[[2-(3-cyanoanilino)acetyl]amino]benzoate CAS Name: 4-[[2-(3-cyanoanilino)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(3-cyanoanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-cyanoanilino)acetyl]amino]benzoate Formula: C16H12N3O3- MolecularWeight: 294.28478

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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)/p-1