5-(3-cyanopropoxy)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 5-(3-cyanopropoxy)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 5-(3-cyanopropoxy)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(3-cyanopropoxy)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 5-(3-cyanopropoxy)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(3-cyanopropoxy)-1-phenyl-pyrazole-4-carboxylate Formula: C14H12N3O3- MolecularWeight: 270.26338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)[O-])OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)[O-])OCCCC#N

InChI

InChI=1S/C14H13N3O3/c15-8-4-5-9-20-13-12(14(18)19)10-16-17(13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,9H2,(H,18,19)/p-1