(Z)-3-oxidanylidene-2-[1-(phenylmethyl)pyrazol-4-yl]prop-1-en-1-olate

Systemtic Name: (Z)-3-oxidanylidene-2-[1-(phenylmethyl)pyrazol-4-yl]prop-1-en-1-olate Openeye Name: (Z)-2-(1-benzylpyrazol-4-yl)-3-oxo-prop-1-en-1-olate CAS Name: (Z)-3-oxo-2-[1-(phenylmethyl)-4-pyrazolyl]-1-propen-1-olate IUPAC Name: (Z)-2-(1-benzylpyrazol-4-yl)-3-oxoprop-1-en-1-olate Traditional Name: (Z)-2-(1-benzylpyrazol-4-yl)-3-keto-prop-1-en-1-olate Formula: C13H11N2O2- MolecularWeight: 227.23864

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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/h1-6,8-10,16H,7H2/p-1/b13-9+