ethyl 4-[3-(1H-imidazol-2-ylmethyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(1H-imidazol-2-ylmethyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]benzoate CAS Name: 4-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]benzoate Traditional Name: 4-[3-(1H-imidazol-2-ylmethyl)-5-keto-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)CC3=NC=CN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)CC3=NC=CN3

InChI

InChI=1S/C16H16N4O3/c1-2-23-16(22)11-3-5-13(6-4-11)20-15(21)10-12(19-20)9-14-17-7-8-18-14/h3-8H,2,9-10H2,1H3,(H,17,18)