(phenylmethyl) 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-nitro-indole-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-nitro-indole-2-carboxylate Openeye Name: benzyl 1-(2-tert-butoxy-2-oxo-ethyl)-5-nitro-indole-2-carboxylate CAS Name: 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-nitro-2-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-nitroindole-2-carboxylate Traditional Name: 1-(2-tert-butoxy-2-keto-ethyl)-5-nitro-indole-2-carboxylic acid benzyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-22(2,3)30-20(25)13-23-18-10-9-17(24(27)28)11-16(18)12-19(23)21(26)29-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3