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

Systemtic Name: tert-butyl 3-[4-imidazol-1-yl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-(4-imidazol-1-yl-1-methyl-2,5-dioxo-pyrrol-3-yl)indole-1-carboxylate CAS Name: 3-[4-(1-imidazolyl)-1-methyl-2,5-dioxo-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-imidazol-1-yl-1-methyl-2,5-dioxopyrrol-3-yl)indole-1-carboxylate Traditional Name: 3-(4-imidazol-1-yl-2,5-diketo-1-methyl-3-pyrrolin-3-yl)indole-1-carboxylic acid tert-butyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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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)N4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)C)N4C=CN=C4

InChI

InChI=1S/C21H20N4O4/c1-21(2,3)29-20(28)25-11-14(13-7-5-6-8-15(13)25)16-17(24-10-9-22-12-24)19(27)23(4)18(16)26/h5-12H,1-4H3