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

Systemtic Name: 1-(5-bromanyl-2-oxidanyl-phenyl)-4,6-bis(oxidanylidene)-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-hydroxy-phenyl)-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-hydroxyphenyl)-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-hydroxy-phenyl)-4,6-diketo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3C(C(N2)C4=C(C=CC(=C4)Br)O)C(=O)NC3=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2(C3C(C(N2)C4=C(C=CC(=C4)Br)O)C(=O)NC3=O)C(=O)O

InChI

InChI=1S/C19H15BrN2O5/c20-10-6-7-12(23)11(8-10)15-13-14(17(25)21-16(13)24)19(22-15,18(26)27)9-4-2-1-3-5-9/h1-8,13-15,22-23H,(H,26,27)(H,21,24,25)