(Z)-3-oxidanyl-2-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enal

Systemtic Name: (Z)-3-oxidanyl-2-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enal Openeye Name: (Z)-2-(1-benzylpyrazol-4-yl)-3-hydroxy-prop-2-enal CAS Name: (Z)-3-hydroxy-2-[1-(phenylmethyl)-4-pyrazolyl]-2-propenal IUPAC Name: (Z)-2-(1-benzylpyrazol-4-yl)-3-hydroxyprop-2-enal Traditional Name: (Z)-2-(1-benzylpyrazol-4-yl)-3-hydroxy-acrolein 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(=CO)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/h1-6,8-10,16H,7H2/b13-9+