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

Systemtic Name: 2-[[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C19H16ClN4O4- MolecularWeight: 399.80774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN4O4/c1-12-17(18(20)23(22-12)11-13-5-3-2-4-6-13)19(26)21-10-14-9-15(24(27)28)7-8-16(14)25/h2-9,25H,10-11H2,1H3,(H,21,26)/p-1