2-[1-(phenylmethyl)pyrazol-4-yl]propanedial

Systemtic Name: 2-[1-(phenylmethyl)pyrazol-4-yl]propanedial Openeye Name: 2-(1-benzylpyrazol-4-yl)propanedial CAS Name: 2-[1-(phenylmethyl)-4-pyrazolyl]propanedial IUPAC Name: 2-(1-benzylpyrazol-4-yl)propanedial Traditional Name: 2-(1-benzylpyrazol-4-yl)malonaldehyde Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(C=O)C=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(C=O)C=O

InChI

InChI=1S/C13H12N2O2/c16-9-13(10-17)12-6-14-15(8-12)7-11-4-2-1-3-5-11/h1-6,8-10,13H,7H2