tert-butyl 5-methoxy-2-(7-nitro-3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-methoxy-2-(7-nitro-3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-methoxy-2-(7-nitro-3-oxo-isoindolin-4-yl)indole-1-carboxylate CAS Name: 5-methoxy-2-(7-nitro-3-oxo-1,2-dihydroisoindol-4-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methoxy-2-(7-nitro-3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Traditional Name: 2-(3-keto-7-nitro-isoindolin-4-yl)-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1C3=C4C(=C(C=C3)[N+](=O)[O-])CNC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1C3=C4C(=C(C=C3)[N+](=O)[O-])CNC4=O

InChI

InChI=1S/C22H21N3O6/c1-22(2,3)31-21(27)24-16-7-5-13(30-4)9-12(16)10-18(24)14-6-8-17(25(28)29)15-11-23-20(26)19(14)15/h5-10H,11H2,1-4H3,(H,23,26)