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

Systemtic Name: 1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-5-(3-nitrophenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-1-(2-carbomethoxy-3,5-dimethoxy-phenyl)-4,6-diketo-5-(3-nitrophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H27N3O10 MolecularWeight: 589.54948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H27N3O10/c1-41-19-13-20(22(28(36)43-3)21(14-19)42-2)25-23-24(30(31-25,29(37)38)15-16-8-5-4-6-9-16)27(35)32(26(23)34)17-10-7-11-18(12-17)33(39)40/h4-14,23-25,31H,15H2,1-3H3,(H,37,38)