(4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-(3-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-(3-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3-nitrophenyl)-1-(4-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3-nitrophenyl)-1-(4-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=CC=C4)[N+](=O)[O-])/O

InChI

InChI=1S/C27H25N3O6/c1-2-3-14-36-22-9-5-7-20(16-22)25(31)23-24(19-6-4-8-21(15-19)30(34)35)29(27(33)26(23)32)17-18-10-12-28-13-11-18/h4-13,15-16,24,31H,2-3,14,17H2,1H3/b25-23+