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

Systemtic Name: 1-(3-methoxy-2-oxidanyl-phenyl)-5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-hydroxy-3-methoxy-phenyl)-5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-hydroxy-3-methoxyphenyl)-5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(2-hydroxy-3-methoxyphenyl)-5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-hydroxy-3-methoxy-phenyl)-4,6-diketo-3-(4-nitrobenzyl)-5-(3-nitrophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H22N4O10 MolecularWeight: 562.48438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1O)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H22N4O10/c1-41-19-7-3-6-18(23(19)32)22-20-21(25(34)29(24(20)33)16-4-2-5-17(12-16)31(39)40)27(28-22,26(35)36)13-14-8-10-15(11-9-14)30(37)38/h2-12,20-22,28,32H,13H2,1H3,(H,35,36)