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

Systemtic Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1-(4-pyrrolidin-1-ylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-(4-pyrrolidin-1-ylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-[4-(1-pyrrolidinyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-nitrophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-(4-pyrrolidin-1-ylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-3-(4-nitrobenzyl)-5-(3-nitrophenyl)-1-(4-pyrrolidinophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H27N5O8 MolecularWeight: 585.56408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C30H27N5O8/c36-27-24-25(28(37)33(27)22-4-3-5-23(16-22)35(42)43)30(29(38)39,17-18-6-10-21(11-7-18)34(40)41)31-26(24)19-8-12-20(13-9-19)32-14-1-2-15-32/h3-13,16,24-26,31H,1-2,14-15,17H2,(H,38,39)