4-[(3-methoxy-5-nitro-4-prop-2-enoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[(3-methoxy-5-nitro-4-prop-2-enoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(4-allyloxy-3-methoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-methoxy-5-nitro-4-prop-2-enoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-methoxy-5-nitro-4-prop-2-enoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(4-allyloxy-3-methoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H17N3O6 MolecularWeight: 395.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC=C)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OCC=C)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O6/c1-3-9-29-18-16(23(26)27)11-13(12-17(18)28-2)10-15-19(24)21-22(20(15)25)14-7-5-4-6-8-14/h3-8,10-12H,1,9H2,2H3,(H,21,24)