3-[3-(aminocarbonylamino)propyl]-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1-[2,3,5-tris(chloranyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1-[2,3,5-tris(chloranyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(3-nitrophenyl)-4,6-dioxo-1-(2,3,5-trichlorophenyl)-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[3-(carbamoylamino)propyl]-5-(3-nitrophenyl)-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-[3-(carbamoylamino)propyl]-5-(3-nitrophenyl)-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-(3-nitrophenyl)-1-(2,3,5-trichlorophenyl)-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H20Cl3N5O7 MolecularWeight: 584.7932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4Cl)Cl)Cl)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4Cl)Cl)Cl)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C23H20Cl3N5O7/c24-10-7-13(17(26)14(25)8-10)18-15-16(23(29-18,21(34)35)5-2-6-28-22(27)36)20(33)30(19(15)32)11-3-1-4-12(9-11)31(37)38/h1,3-4,7-9,15-16,18,29H,2,5-6H2,(H,34,35)(H3,27,28,36)