5-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[2-(cyanomethylamino)-2-oxo-ethoxy]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[2-(cyanomethylamino)-2-oxoethoxy]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-(cyanomethylamino)-2-oxoethoxy]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[2-(cyanomethylamino)-2-keto-ethoxy]-1-phenyl-pyrazole-4-carboxylic acid Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)OCC(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)OCC(=O)NCC#N

InChI

InChI=1S/C14H12N4O4/c15-6-7-16-12(19)9-22-13-11(14(20)21)8-17-18(13)10-4-2-1-3-5-10/h1-5,8H,7,9H2,(H,16,19)(H,20,21)