tert-butyl 3-[4-(1,4-benzodioxin-3-yl)-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(1,4-benzodioxin-3-yl)-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[4-(1,4-benzodioxin-3-yl)-1-methyl-2,5-dioxo-pyrrol-3-yl]indole-1-carboxylate CAS Name: 3-[4-(1,4-benzodioxin-3-yl)-1-methyl-2,5-dioxo-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(1,4-benzodioxin-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indole-1-carboxylate Traditional Name: 3-[4-(1,4-benzodioxin-3-yl)-2,5-diketo-1-methyl-3-pyrrolin-3-yl]indole-1-carboxylic acid tert-butyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)C)C4=COC5=CC=CC=C5O4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)C)C4=COC5=CC=CC=C5O4

InChI

InChI=1S/C26H22N2O6/c1-26(2,3)34-25(31)28-13-16(15-9-5-6-10-17(15)28)21-22(24(30)27(4)23(21)29)20-14-32-18-11-7-8-12-19(18)33-20/h5-14H,1-4H3