ethyl (3Z)-3-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]-2-(phenylmethyl)butanoate

Systemtic Name: ethyl (3Z)-3-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]-2-(phenylmethyl)butanoate Openeye Name: ethyl (3Z)-2-benzyl-3-(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)butanoate CAS Name: (3Z)-3-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl (3Z)-2-benzyl-3-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)butanoate Traditional Name: (3Z)-2-benzyl-3-(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)butyric acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=C2C(=O)NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)/C(=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C22H22N2O4/c1-3-28-22(27)18(14-16-10-6-4-7-11-16)15(2)19-20(25)23-24(21(19)26)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3,(H,23,25)/b19-15-