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

Systemtic Name: 5-(4-ethanoylphenyl)-1-(3-methoxy-2-oxidanyl-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-1-(2-hydroxy-3-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-acetylphenyl)-1-(2-hydroxy-3-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-acetylphenyl)-1-(2-hydroxy-3-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-1-(2-hydroxy-3-methoxy-phenyl)-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H25N3O9 MolecularWeight: 559.5235

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)O)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)O)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C29H25N3O9/c1-15(33)17-8-12-18(13-9-17)31-26(35)22-23(27(31)36)29(28(37)38,14-16-6-10-19(11-7-16)32(39)40)30-24(22)20-4-3-5-21(41-2)25(20)34/h3-13,22-24,30,34H,14H2,1-2H3,(H,37,38)