[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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