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

Systemtic Name: tert-butyl 2-(7-nitro-3-oxidanylidene-1,2-dihydroisoindol-4-yl)-5-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-(7-nitro-3-oxo-isoindolin-4-yl)indole-1-carboxylate CAS Name: 2-(7-nitro-3-oxo-1,2-dihydroisoindol-4-yl)-5-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-nitro-3-oxo-1,2-dihydroisoindol-4-yl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 5-benzoxy-2-(3-keto-7-nitro-isoindolin-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=C5C(=C(C=C4)[N+](=O)[O-])CNC5=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=C5C(=C(C=C4)[N+](=O)[O-])CNC5=O

InChI

InChI=1S/C28H25N3O6/c1-28(2,3)37-27(33)30-22-11-9-19(36-16-17-7-5-4-6-8-17)13-18(22)14-24(30)20-10-12-23(31(34)35)21-15-29-26(32)25(20)21/h4-14H,15-16H2,1-3H3,(H,29,32)