5-cyclohexyl-1-(4-methoxycarbonylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-cyclohexyl-1-(4-methoxycarbonylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-cyclohexyl-1-(4-methoxycarbonylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-cyclohexyl-1-(4-methoxycarbonylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-cyclohexyl-1-(4-methoxycarbonylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-carbomethoxyphenyl)-5-cyclohexyl-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H29N3O8 MolecularWeight: 535.54516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H29N3O8/c1-39-26(34)18-11-9-17(10-12-18)23-21-22(25(33)30(24(21)32)19-5-3-2-4-6-19)28(29-23,27(35)36)15-16-7-13-20(14-8-16)31(37)38/h7-14,19,21-23,29H,2-6,15H2,1H3,(H,35,36)