O1-tert-butyl O2-methyl 5-nitro-7-phenylmethoxy-indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 5-nitro-7-phenylmethoxy-indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 7-benzyloxy-5-nitro-indole-1,2-dicarboxylate CAS Name: 5-nitro-7-phenylmethoxyindole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 5-nitro-7-phenylmethoxyindole-1,2-dicarboxylate Traditional Name: 7-benzoxy-5-nitro-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=CC(=CC(=C21)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=CC(=CC(=C21)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H22N2O7/c1-22(2,3)31-21(26)23-17(20(25)29-4)11-15-10-16(24(27)28)12-18(19(15)23)30-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3