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

Systemtic Name: tert-butyl 3-[1-methyl-4-(3-methylimidazol-4-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[1-methyl-4-(3-methylimidazol-4-yl)-2,5-dioxo-pyrrol-3-yl]indole-1-carboxylate CAS Name: 3-[1-methyl-4-(3-methyl-4-imidazolyl)-2,5-dioxo-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-methyl-4-(3-methylimidazol-4-yl)-2,5-dioxopyrrol-3-yl]indole-1-carboxylate Traditional Name: 3-[2,5-diketo-1-methyl-4-(3-methylimidazol-4-yl)-3-pyrrolin-3-yl]indole-1-carboxylic acid tert-butyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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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=CN=CN4C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)C)C4=CN=CN4C

InChI

InChI=1S/C22H22N4O4/c1-22(2,3)30-21(29)26-11-14(13-8-6-7-9-15(13)26)17-18(16-10-23-12-24(16)4)20(28)25(5)19(17)27/h6-12H,1-5H3