[2-oxidanylidene-2-[1-(phenylmethyl)pyrazol-4-yl]ethyl]phosphonic acid

Systemtic Name: [2-oxidanylidene-2-[1-(phenylmethyl)pyrazol-4-yl]ethyl]phosphonic acid Openeye Name: [2-(1-benzylpyrazol-4-yl)-2-oxo-ethyl]phosphonic acid CAS Name: [2-oxo-2-[1-(phenylmethyl)-4-pyrazolyl]ethyl]phosphonic acid IUPAC Name: [2-(1-benzylpyrazol-4-yl)-2-oxoethyl]phosphonic acid Traditional Name: [2-(1-benzylpyrazol-4-yl)-2-keto-ethyl]phosphonic acid Formula: C12H13N2O4P MolecularWeight: 280.216381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O4P/c15-12(9-19(16,17)18)11-6-13-14(8-11)7-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,16,17,18)