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

Systemtic Name: 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C20H19N4O4- MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H20N4O4/c1-13-18(14(2)23(22-13)16-6-4-3-5-7-16)11-20(26)21-12-15-10-17(24(27)28)8-9-19(15)25/h3-10,25H,11-12H2,1-2H3,(H,21,26)/p-1