[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3-ureidopropanoate CAS Name: 3-(carbamoylamino)propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3-(carbamoylamino)propanoate Traditional Name: 3-ureidopropionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)CCNC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)CCNC(=O)N

InChI

InChI=1S/C13H14N4O4/c14-7-9-1-3-10(4-2-9)17-11(18)8-21-12(19)5-6-16-13(15)20/h1-4H,5-6,8H2,(H,17,18)(H3,15,16,20)