1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-5-(4-ethylphenyl)-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)-5-(4-ethylphenyl)-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)-5-(4-ethylphenyl)-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)-5-(4-ethylphenyl)-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)-5-(4-ethylphenyl)-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-(4-ethylphenyl)-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C32H31N3O10 MolecularWeight: 617.60264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4C(=O)OC)OC)OC)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4C(=O)OC)OC)OC)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C32H31N3O10/c1-5-17-6-10-19(11-7-17)34-28(36)25-26(29(34)37)32(31(39)40,16-18-8-12-20(13-9-18)35(41)42)33-27(25)22-14-21(43-2)15-23(44-3)24(22)30(38)45-4/h6-15,25-27,33H,5,16H2,1-4H3,(H,39,40)