5-[4-[(4-acetyloxy-3-methoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[4-[(4-acetyloxy-3-methoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]-2-chloranyl-benzoate Openeye Name: 5-[4-[(4-acetoxy-3-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]-2-chloro-benzoate CAS Name: 5-[4-[(4-acetyloxy-3-methoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]-2-chlorobenzoate IUPAC Name: 5-[4-[(4-acetyloxy-3-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]-2-chlorobenzoate Traditional Name: 5-[4-(4-acetoxy-3-methoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]-2-chloro-benzoate Formula: C21H16ClN2O6- MolecularWeight: 427.81454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])OC

InChI

InChI=1S/C21H17ClN2O6/c1-11-15(8-13-4-7-18(30-12(2)25)19(9-13)29-3)20(26)24(23-11)14-5-6-17(22)16(10-14)21(27)28/h4-10,23H,1H2,2-3H3,(H,27,28)/p-1