O1-tert-butyl O3,O3'-dimethyl 6-nitro-2H-indole-1,3,3-tricarboxylate

Systemtic Name: O1-tert-butyl O3,O3'-dimethyl 6-nitro-2H-indole-1,3,3-tricarboxylate Openeye Name: O1-tert-butyl O3,O3'-dimethyl 6-nitroindoline-1,3,3-tricarboxylate CAS Name: 6-nitro-2H-indole-1,3,3-tricarboxylic acid O1-tert-butyl ester O3,O3'-dimethyl ester IUPAC Name: 1-O-tert-butyl 3-O,3-O'-dimethyl 6-nitro-2H-indole-1,3,3-tricarboxylate Traditional Name: 6-nitroindoline-1,3,3-tricarboxylic acid O1-tert-butyl ester O3,O3'-dimethyl ester Formula: C17H20N2O8 MolecularWeight: 380.3493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H20N2O8/c1-16(2,3)27-15(22)18-9-17(13(20)25-4,14(21)26-5)11-7-6-10(19(23)24)8-12(11)18/h6-8H,9H2,1-5H3