(4Z)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione

Systemtic Name: (4Z)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione Openeye Name: (4Z)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (4Z)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (4Z)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (4Z)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-quinone Formula: C26H16ClN3O7S MolecularWeight: 549.93914

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC=C(C=C6)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC=C(C=C6)[N+](=O)[O-])/O

InChI

InChI=1S/C26H16ClN3O7S/c27-15-4-7-17-20(12-15)38-26(28-17)29-22(13-1-5-16(6-2-13)30(34)35)21(24(32)25(29)33)23(31)14-3-8-18-19(11-14)37-10-9-36-18/h1-8,11-12,22,31H,9-10H2/b23-21-