ethyl 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoate CAS Name: 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoate Traditional Name: 4-[(4E)-5-keto-4-(3-methoxy-4-propargyloxy-benzylidene)-3-methylene-pyrazolidin-1-yl]benzoic acid ethyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)C(=C)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC#C)OC)/C(=C)N2

InChI

InChI=1S/C24H22N2O5/c1-5-13-31-21-12-7-17(15-22(21)29-4)14-20-16(3)25-26(23(20)27)19-10-8-18(9-11-19)24(28)30-6-2/h1,7-12,14-15,25H,3,6,13H2,2,4H3/b20-14+