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

Systemtic Name: 4-[(3-bromanyl-4-methoxy-5-nitro-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-bromo-4-methoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-4-methoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C17H12BrN3O5 MolecularWeight: 418.19828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O5/c1-26-15-13(18)8-10(9-14(15)21(24)25)7-12-16(22)19-20(17(12)23)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,22)