ethyl 4-[4-[(4-acetyloxy-3-ethoxy-phenyl)methylidene]-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(4-acetyloxy-3-ethoxy-phenyl)methylidene]-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(4-acetoxy-3-ethoxy-phenyl)methylene]-3,5-dioxo-pyrazolidin-1-yl]benzoate CAS Name: 4-[4-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate Traditional Name: 4-[4-(4-acetoxy-3-ethoxy-benzylidene)-3,5-diketo-pyrazolidin-1-yl]benzoic acid ethyl ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)OC(=O)C

InChI

InChI=1S/C23H22N2O7/c1-4-30-20-13-15(6-11-19(20)32-14(3)26)12-18-21(27)24-25(22(18)28)17-9-7-16(8-10-17)23(29)31-5-2/h6-13H,4-5H2,1-3H3,(H,24,27)