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

Systemtic Name: 2-[[[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C18H13ClFN4O4- MolecularWeight: 403.771623

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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)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClFN4O4/c1-10-16(17(19)23(22-10)13-4-2-12(20)3-5-13)18(26)21-9-11-8-14(24(27)28)6-7-15(11)25/h2-8,25H,9H2,1H3,(H,21,26)/p-1