1-(5-bromanyl-2-oxidanyl-phenyl)-5-tert-butyl-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-oxidanyl-phenyl)-5-tert-butyl-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-hydroxy-phenyl)-5-tert-butyl-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-hydroxyphenyl)-5-tert-butyl-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)-5-tert-butyl-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-hydroxy-phenyl)-5-tert-butyl-4,6-diketo-3-methylol-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H21BrN2O6 MolecularWeight: 441.27314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=C(C=CC(=C3)Br)O)(CO)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=C(C=CC(=C3)Br)O)(CO)C(=O)O

InChI

InChI=1S/C18H21BrN2O6/c1-17(2,3)21-14(24)11-12(15(21)25)18(7-22,16(26)27)20-13(11)9-6-8(19)4-5-10(9)23/h4-6,11-13,20,22-23H,7H2,1-3H3,(H,26,27)