5-cyclohexyl-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-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-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-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-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-cyclohexyl-1-(3,5-dimethoxy-2-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-(3,5-dimethoxy-2-methoxycarbonylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-carbomethoxy-3,5-dimethoxy-phenyl)-5-cyclohexyl-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H33N3O10 MolecularWeight: 595.59712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)C(=O)OC)OC

InChI

InChI=1S/C30H33N3O10/c1-41-19-13-20(22(28(36)43-3)21(14-19)42-2)25-23-24(27(35)32(26(23)34)17-7-5-4-6-8-17)30(31-25,29(37)38)15-16-9-11-18(12-10-16)33(39)40/h9-14,17,23-25,31H,4-8,15H2,1-3H3,(H,37,38)