5-[4-[[(3S)-1-ethoxycarbonylpiperidin-3-yl]carbonylamino]phenyl]-1H-pyrazol-3-olate

Systemtic Name: 5-[4-[[(3S)-1-ethoxycarbonylpiperidin-3-yl]carbonylamino]phenyl]-1H-pyrazol-3-olate Openeye Name: 5-[4-[[(3S)-1-ethoxycarbonylpiperidine-3-carbonyl]amino]phenyl]-1H-pyrazol-3-olate CAS Name: 5-[4-[[[(3S)-1-ethoxycarbonyl-3-piperidinyl]-oxomethyl]amino]phenyl]-1H-pyrazol-3-olate IUPAC Name: 5-[4-[[(3S)-1-ethoxycarbonylpiperidine-3-carbonyl]amino]phenyl]-1H-pyrazol-3-olate Traditional Name: 5-[4-[[(3S)-1-carbethoxynipecotoyl]amino]phenyl]-1H-pyrazol-3-olate Formula: C18H21N4O4- MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=CC(=NN3)[O-]

Isomeric SMILES

CCOC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC(=NN3)[O-]

InChI

InChI=1S/C18H22N4O4/c1-2-26-18(25)22-9-3-4-13(11-22)17(24)19-14-7-5-12(6-8-14)15-10-16(23)21-20-15/h5-8,10,13H,2-4,9,11H2,1H3,(H,19,24)(H2,20,21,23)/p-1/t13-/m0/s1