2-ethyl-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]pentanoate

Systemtic Name: 2-ethyl-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]pentanoate Openeye Name: 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoate CAS Name: 2-ethyl-5-oxo-5-[(1-phenyl-3-pyrazolyl)amino]pentanoate IUPAC Name: 2-ethyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoate Traditional Name: 2-ethyl-5-keto-5-[(1-phenylpyrazol-3-yl)amino]valerate Formula: C16H18N3O3- MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCC(CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-2-12(16(21)22)8-9-15(20)17-14-10-11-19(18-14)13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H,21,22)(H,17,18,20)/p-1