2-methoxyethyl (2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl (2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl (2E)-2-[(1,3-diphenylpyrazol-4-yl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(1,3-diphenyl-4-pyrazolyl)methylidene]-3-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(1,3-diphenylpyrazol-4-yl)acrylic acid 2-methoxyethyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCCOC

Isomeric SMILES

CC(=O)/C(=C\C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)/C(=O)OCCOC

InChI

InChI=1S/C23H22N2O4/c1-17(26)21(23(27)29-14-13-28-2)15-19-16-25(20-11-7-4-8-12-20)24-22(19)18-9-5-3-6-10-18/h3-12,15-16H,13-14H2,1-2H3/b21-15+