O3-tert-butyl O1,O1'-dimethyl 5-nitro-2H-benzo[e]indole-1,1,3-tricarboxylate

Systemtic Name: O3-tert-butyl O1,O1'-dimethyl 5-nitro-2H-benzo[e]indole-1,1,3-tricarboxylate Openeye Name: O3-tert-butyl O1,O1'-dimethyl 5-nitro-2H-benzo[e]indole-1,1,3-tricarboxylate CAS Name: 5-nitro-2H-benzo[e]indole-1,1,3-tricarboxylic acid O3-tert-butyl ester O1,O1'-dimethyl ester IUPAC Name: 3-O-tert-butyl 1-O,1-O'-dimethyl 5-nitro-2H-benzo[e]indole-1,1,3-tricarboxylate Traditional Name: 5-nitro-2H-benz[e]indole-1,1,3-tricarboxylic acid O3-tert-butyl ester O1,O1'-dimethyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O8/c1-20(2,3)31-19(26)22-11-21(17(24)29-4,18(25)30-5)16-13-9-7-6-8-12(13)14(23(27)28)10-15(16)22/h6-10H,11H2,1-5H3