cyanomethyl (3S)-3-(aminocarbonylamino)-3-(2-chlorophenyl)propanoate

Systemtic Name: cyanomethyl (3S)-3-(aminocarbonylamino)-3-(2-chlorophenyl)propanoate Openeye Name: cyanomethyl (3S)-3-(2-chlorophenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate Traditional Name: (3S)-3-(2-chlorophenyl)-3-ureido-propionic acid cyanomethyl ester Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CC(=O)OCC#N)NC(=O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[C@H](CC(=O)OCC#N)NC(=O)N)Cl

InChI

InChI=1S/C12H12ClN3O3/c13-9-4-2-1-3-8(9)10(16-12(15)18)7-11(17)19-6-5-14/h1-4,10H,6-7H2,(H3,15,16,18)/t10-/m0/s1