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

Systemtic Name: 1-(3-methoxy-2-phenylmethoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-(2-pyridin-2-ylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-[2-(2-pyridyl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-[2-(2-pyridinyl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-(2-pyridin-2-ylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-4,6-diketo-3-(4-nitrobenzyl)-5-[2-(2-pyridyl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C35H32N4O8 MolecularWeight: 636.65058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCC5=CC=CC=N5)C(N3)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCC5=CC=CC=N5)C(N3)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C35H32N4O8/c1-46-27-12-7-11-26(31(27)47-21-23-8-3-2-4-9-23)30-28-29(33(41)38(32(28)40)19-17-24-10-5-6-18-36-24)35(37-30,34(42)43)20-22-13-15-25(16-14-22)39(44)45/h2-16,18,28-30,37H,17,19-21H2,1H3,(H,42,43)