4-[[5-chloranyl-2-(naphthalen-1-ylmethoxy)-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[5-chloranyl-2-(naphthalen-1-ylmethoxy)-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[5-chloro-2-(1-naphthylmethoxy)-3-nitro-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-chloro-2-(1-naphthalenylmethoxy)-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-chloro-2-(naphthalen-1-ylmethoxy)-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[5-chloro-2-(1-naphthylmethoxy)-3-nitro-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C27H18ClN3O5 MolecularWeight: 499.90192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3OCC4=CC=CC5=CC=CC=C54)[N+](=O)[O-])Cl)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3OCC4=CC=CC5=CC=CC=C54)[N+](=O)[O-])Cl)C(=O)N2

InChI

InChI=1S/C27H18ClN3O5/c28-20-13-19(14-23-26(32)29-30(27(23)33)21-10-2-1-3-11-21)25(24(15-20)31(34)35)36-16-18-9-6-8-17-7-4-5-12-22(17)18/h1-15H,16H2,(H,29,32)