2-[2-chloranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[2-chloranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-[5-(tert-butoxycarbonylamino)-2-chloro-phenyl]-3-oxo-propanoic acid CAS Name: 2-[2-chloro-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-3-oxopropanoic acid IUPAC Name: 2-[2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopropanoic acid Traditional Name: 2-[5-(tert-butoxycarbonylamino)-2-chloro-phenyl]-3-keto-propionic acid Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Cl)C(C=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Cl)C(C=O)C(=O)O

InChI

InChI=1S/C14H16ClNO5/c1-14(2,3)21-13(20)16-8-4-5-11(15)9(6-8)10(7-17)12(18)19/h4-7,10H,1-3H3,(H,16,20)(H,18,19)