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: 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: 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: 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: 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)-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H23N3O10 MolecularWeight: 513.45352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)C(=O)OC)OC

InChI

InChI=1S/C24H23N3O10/c1-35-13-8-14(16(22(30)37-3)15(9-13)36-2)19-17-18(21(29)25-20(17)28)24(26-19,23(31)32)10-11-4-6-12(7-5-11)27(33)34/h4-9,17-19,26H,10H2,1-3H3,(H,31,32)(H,25,28,29)