5-[4-[[3,5-bis(bromanyl)-2-prop-2-enoxy-phenyl]methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[4-[[3,5-bis(bromanyl)-2-prop-2-enoxy-phenyl]methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]-2-chloranyl-benzoate Openeye Name: 5-[4-[(2-allyloxy-3,5-dibromo-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]-2-chloro-benzoate CAS Name: 2-chloro-5-[4-[(3,5-dibromo-2-prop-2-enoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoate IUPAC Name: 2-chloro-5-[4-[(3,5-dibromo-2-prop-2-enoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoate Traditional Name: 5-[4-(2-allyloxy-3,5-dibromo-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]-2-chloro-benzoate Formula: C21H14Br2ClN2O4- MolecularWeight: 553.60786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])Br)Br

Isomeric SMILES

C=CCOC1=C(C=C(C=C1C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])Br)Br

InChI

InChI=1S/C21H15Br2ClN2O4/c1-3-6-30-19-12(7-13(22)9-17(19)23)8-15-11(2)25-26(20(15)27)14-4-5-18(24)16(10-14)21(28)29/h3-5,7-10,25H,1-2,6H2,(H,28,29)/p-1