[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C17H20ClN3O5 MolecularWeight: 381.8108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl

InChI

InChI=1S/C17H20ClN3O5/c1-17(2,3)26-16(24)20-7-6-15(23)25-10-14(22)21-12-5-4-11(9-19)13(18)8-12/h4-5,8H,6-7,10H2,1-3H3,(H,20,24)(H,21,22)