diethyl 2-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]propanedioate Openeye Name: diethyl 2-[(1-benzylpyrazol-4-yl)methylene]propanedioate CAS Name: 2-[[1-(phenylmethyl)-4-pyrazolyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1-benzylpyrazol-4-yl)methylidene]propanedioate Traditional Name: 2-[(1-benzylpyrazol-4-yl)methylene]malonic acid diethyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H20N2O4/c1-3-23-17(21)16(18(22)24-4-2)10-15-11-19-20(13-15)12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3