4-nitro-2-[2-(2-nitro-4-pyrrolidin-1-ylcarbonyl-phenyl)sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-(2-nitro-4-pyrrolidin-1-ylcarbonyl-phenyl)sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-[[2-nitro-4-[oxo(1-pyrrolidinyl)methyl]phenyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[2-[[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C26H17N5O7S2 MolecularWeight: 575.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H17N5O7S2/c32-23(28-10-1-2-11-28)14-6-9-20(19(12-14)31(37)38)39-26-27-17-8-7-15(13-21(17)40-26)29-24(33)16-4-3-5-18(30(35)36)22(16)25(29)34/h3-9,12-13H,1-2,10-11H2