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

Systemtic Name: 4-[(3-methoxy-5-nitro-4-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-methoxy-5-nitro-4-prop-2-ynoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-methoxy-5-nitro-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-methoxy-5-nitro-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-methoxy-5-nitro-4-propargyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H15N3O6 MolecularWeight: 393.3496

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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/C20H15N3O6/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/h1,4-8,10-12H,9H2,2H3,(H,21,24)