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

Systemtic Name: 4-[(3-chloranyl-5-nitro-4-propan-2-yloxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-chloro-4-isopropoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-chloro-5-nitro-4-propan-2-yloxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-chloro-5-nitro-4-propan-2-yloxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-chloro-4-isopropoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O5/c1-11(2)28-17-15(20)9-12(10-16(17)23(26)27)8-14-18(24)21-22(19(14)25)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,24)