[5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate Openeye Name: [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] ester Formula: C17H13FN4O6S MolecularWeight: 420.371723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN4O6S/c1-10-13(3-2-4-14(10)22(24)25)17(23)28-16-9-15(19)21(20-16)29(26,27)12-7-5-11(18)6-8-12/h2-9H,19H2,1H3