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

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

COC1=C(C=C(C=C1)Br)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H24BrN3O7/c1-39-21-12-9-18(29)13-20(21)24-22-23(26(34)31(25(22)33)15-17-5-3-2-4-6-17)28(30-24,27(35)36)14-16-7-10-19(11-8-16)32(37)38/h2-13,22-24,30H,14-15H2,1H3,(H,35,36)