5-(2,6-diethylphenyl)-3-methyl-4,6-bis(oxidanylidene)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-(2,6-diethylphenyl)-3-methyl-4,6-bis(oxidanylidene)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-3-methyl-4,6-dioxo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(2,6-diethylphenyl)-3-methyl-4,6-dioxo-1-(2-pyridinyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(2,6-diethylphenyl)-3-methyl-4,6-dioxo-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2,6-diethylphenyl)-4,6-diketo-3-methyl-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=N4)(C)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=N4)(C)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-4-13-9-8-10-14(5-2)19(13)26-20(27)16-17(21(26)28)23(3,22(29)30)25-18(16)15-11-6-7-12-24-15/h6-12,16-18,25H,4-5H2,1-3H3,(H,29,30)