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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-5-(2-methylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-5-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methoxyphenyl)-5-(2-methylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-5-(2-methylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-4,6-diketo-3-(4-nitrobenzyl)-5-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H24BrN3O7 MolecularWeight: 594.41006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H24BrN3O7/c1-15-5-3-4-6-20(15)31-25(33)22-23(26(31)34)28(27(35)36,14-16-7-10-18(11-8-16)32(37)38)30-24(22)19-13-17(29)9-12-21(19)39-2/h3-13,22-24,30H,14H2,1-2H3,(H,35,36)