ethyl 3-oxidanylidene-5-phenethyl-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-oxidanylidene-5-phenethyl-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-oxo-5-phenethyl-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-oxo-5-phenethyl-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-oxo-5-phenethyl-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-keto-5-phenethyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NNC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O3/c1-2-19-14(18)12-11(15-16-13(12)17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,15,16,17)