diethyl 2-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methylene]propanedioate CAS Name: 2-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]propanedioate Traditional Name: 2-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methylene]malonic acid diethyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C26H22N2O6/c1-3-32-24(29)21(25(30)33-4-2)15-18-16-28(19-11-6-5-7-12-19)27-23(18)20-14-17-10-8-9-13-22(17)34-26(20)31/h5-16H,3-4H2,1-2H3