2,3-bis(oxidanyl)butanedioic acid; 6-(phenylmethyl)-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 6-(phenylmethyl)-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione; 2,3-dihydroxybutanedioic acid CAS Name: 2,3-dihydroxybutanedioic acid; 6-(phenylmethyl)-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione; 2,3-dihydroxybutanedioic acid Traditional Name: 6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-quinone; tartaric acid Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(=O)N(C2=O)CC3=CC=CC=C3)NC1.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1CC2C(C(=O)N(C2=O)CC3=CC=CC=C3)NC1.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C14H16N2O2.C4H6O6/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10;5-1(3(7)8)2(6)4(9)10/h1-3,5-6,11-12,15H,4,7-9H2;1-2,5-6H,(H,7,8)(H,9,10)