3-(2-chloranyl-6-nitro-phenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-chloranyl-6-nitro-phenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(2-chloro-6-nitro-phenoxy)propanoic acid CAS Name: 3-(2-chloro-6-nitrophenoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-chloro-6-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-chloro-6-nitro-phenoxy)propionic acid Formula: C14H17ClN2O7 MolecularWeight: 360.74698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COC1=C(C=CC=C1Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(COC1=C(C=CC=C1Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17ClN2O7/c1-14(2,3)24-13(20)16-9(12(18)19)7-23-11-8(15)5-4-6-10(11)17(21)22/h4-6,9H,7H2,1-3H3,(H,16,20)(H,18,19)