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

Systemtic Name: 4-[5-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: 4-[5-(2-ethoxy-2-oxo-ethyl)-3-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 4-[5-(2-ethoxy-2-oxoethyl)-3-oxo-1H-pyrazol-2-yl]benzoate IUPAC Name: 4-[5-(2-ethoxy-2-oxoethyl)-3-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[3-(2-ethoxy-2-keto-ethyl)-5-keto-3-pyrazolin-1-yl]benzoate Formula: C14H13N2O5- MolecularWeight: 289.26342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H14N2O5/c1-2-21-13(18)8-10-7-12(17)16(15-10)11-5-3-9(4-6-11)14(19)20/h3-7,15H,2,8H2,1H3,(H,19,20)/p-1