2-(2-cyanoethyl)-3-oxidanylidene-5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: 2-(2-cyanoethyl)-3-oxidanylidene-5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: 2-(2-cyanoethyl)-3-oxo-5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 2-(2-cyanoethyl)-3-oxo-5-phenyl-1H-pyrazole-4-carboxylate IUPAC Name: 2-(2-cyanoethyl)-3-oxo-5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-5-keto-3-phenyl-3-pyrazoline-4-carboxylate Formula: C13H10N3O3- MolecularWeight: 256.2368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(N2)CCC#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(N2)CCC#N)C(=O)[O-]

InChI

InChI=1S/C13H11N3O3/c14-7-4-8-16-12(17)10(13(18)19)11(15-16)9-5-2-1-3-6-9/h1-3,5-6,15H,4,8H2,(H,18,19)/p-1