(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)-oxidanyl-methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)-oxidanyl-methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(p-tolyl)methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(p-tolyl)methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-quinone Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)[N+](=O)[O-])/O

InChI

InChI=1S/C27H21N3O5S/c1-14-4-6-18(7-5-14)24(31)21-23(17-8-10-19(11-9-17)30(34)35)29(26(33)25(21)32)27-28-22-16(3)12-15(2)13-20(22)36-27/h4-13,23,31H,1-3H3/b24-21+