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

Systemtic Name: tert-butyl 3-[4-imidazol-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-(4-imidazol-1-yl-2,5-dioxo-pyrrol-3-yl)indole-1-carboxylate CAS Name: 3-[4-(1-imidazolyl)-2,5-dioxo-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-imidazol-1-yl-2,5-dioxopyrrol-3-yl)indole-1-carboxylate Traditional Name: 3-(4-imidazol-1-yl-2,5-diketo-3-pyrrolin-3-yl)indole-1-carboxylic acid tert-butyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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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)NC3=O)N4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)N4C=CN=C4

InChI

InChI=1S/C20H18N4O4/c1-20(2,3)28-19(27)24-10-13(12-6-4-5-7-14(12)24)15-16(18(26)22-17(15)25)23-9-8-21-11-23/h4-11H,1-3H3,(H,22,25,26)