4-[(4-cyanophenyl)carbamoylamino]butanoate

Systemtic Name: 4-[(4-cyanophenyl)carbamoylamino]butanoate Openeye Name: 4-[(4-cyanophenyl)carbamoylamino]butanoate CAS Name: 4-[[(4-cyanoanilino)-oxomethyl]amino]butanoate IUPAC Name: 4-[(4-cyanophenyl)carbamoylamino]butanoate Traditional Name: 4-[(4-cyanophenyl)carbamoylamino]butyrate Formula: C12H12N3O3- MolecularWeight: 246.24198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C12H13N3O3/c13-8-9-3-5-10(6-4-9)15-12(18)14-7-1-2-11(16)17/h3-6H,1-2,7H2,(H,16,17)(H2,14,15,18)/p-1