5-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]phenyl]-1H-pyrazol-3-olate

Systemtic Name: 5-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]phenyl]-1H-pyrazol-3-olate Openeye Name: 5-[4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]phenyl]-1H-pyrazol-3-olate CAS Name: 5-[4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]phenyl]-1H-pyrazol-3-olate IUPAC Name: 5-[4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]phenyl]-1H-pyrazol-3-olate Traditional Name: 5-[4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]phenyl]-1H-pyrazol-3-olate Formula: C16H15N6O4- MolecularWeight: 355.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C3=CC(=NN3)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C3=CC(=NN3)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4/c1-9-16(22(25)26)10(2)21(20-9)8-15(24)17-12-5-3-11(4-6-12)13-7-14(23)19-18-13/h3-7H,8H2,1-2H3,(H,17,24)(H2,18,19,23)/p-1