2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)phenyl]-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)phenyl]-3-(4-nitrophenyl)propionic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H22N2O6/c1-20(2,3)28-19(25)21-15-6-4-5-14(12-15)17(18(23)24)11-13-7-9-16(10-8-13)22(26)27/h4-10,12,17H,11H2,1-3H3,(H,21,25)(H,23,24)