5-(2,6-diethylphenyl)-1-(3-methoxy-2-phenylmethoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-(2,6-diethylphenyl)-1-(3-methoxy-2-phenylmethoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-5-(2,6-diethylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(2,6-diethylphenyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(2,6-diethylphenyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-5-(2,6-diethylphenyl)-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C38H37N3O8 MolecularWeight: 663.71568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C38H37N3O8/c1-4-25-13-9-14-26(5-2)33(25)40-35(42)30-31(36(40)43)38(37(44)45,21-23-17-19-27(20-18-23)41(46)47)39-32(30)28-15-10-16-29(48-3)34(28)49-22-24-11-7-6-8-12-24/h6-20,30-32,39H,4-5,21-22H2,1-3H3,(H,44,45)