[5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 4-nitrobenzoate

Systemtic Name: [5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] ester Formula: C16H11FN4O6S MolecularWeight: 406.345143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11FN4O6S/c17-11-3-7-13(8-4-11)28(25,26)20-14(18)9-15(19-20)27-16(22)10-1-5-12(6-2-10)21(23)24/h1-9H,18H2