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

Systemtic Name: 2-[[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C20H19N4O4- MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

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