3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrophenyl)amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(4-nitrophenyl)amino]propanoic acid Openeye Name: 2-(N-tert-butoxycarbonyl-4-nitro-anilino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-(N-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-nitroanilino)propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-nitroanilino]propanoic acid Traditional Name: 2-(N-tert-butoxycarbonyl-4-nitro-anilino)-3-(4-hydroxyphenyl)propionic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-20(2,3)29-19(26)21(14-6-8-15(9-7-14)22(27)28)17(18(24)25)12-13-4-10-16(23)11-5-13/h4-11,17,23H,12H2,1-3H3,(H,24,25)