1-(1-benzofuran-2-yl)-3-(hydroxymethyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(1-benzofuran-2-yl)-3-(hydroxymethyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(benzofuran-2-yl)-3-(hydroxymethyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-benzofuranyl)-3-(hydroxymethyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1-benzofuran-2-yl)-3-(hydroxymethyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(benzofuran-2-yl)-4,6-diketo-3-methylol-5-(3-nitrophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H17N3O8 MolecularWeight: 451.38568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(CO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(CO)C(=O)O

InChI

InChI=1S/C22H17N3O8/c26-10-22(21(29)30)17-16(18(23-22)15-8-11-4-1-2-7-14(11)33-15)19(27)24(20(17)28)12-5-3-6-13(9-12)25(31)32/h1-9,16-18,23,26H,10H2,(H,29,30)