3-[3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitro-2H-indol-3-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitro-2H-indol-3-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-(1-tert-butoxycarbonyl-3-ethoxycarbonyl-5-nitro-indolin-3-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-nitro-2H-indol-3-yl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitro-2H-indol-3-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-(1-tert-butoxycarbonyl-3-carbethoxy-5-nitro-indolin-3-yl)-2,2-dimethyl-propionic acid Formula: C21H28N2O8 MolecularWeight: 436.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)CC(C)(C)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)CC(C)(C)C(=O)O

InChI

InChI=1S/C21H28N2O8/c1-7-30-17(26)21(11-20(5,6)16(24)25)12-22(18(27)31-19(2,3)4)15-9-8-13(23(28)29)10-14(15)21/h8-10H,7,11-12H2,1-6H3,(H,24,25)