[4-(4-chloranyl-2-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] benzenesulfonate

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] benzenesulfonate Openeye Name: [4-(4-chloro-2-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(4-chloro-2-nitrophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chloro-2-nitrobenzoyl)-2,5-dimethylpyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(4-chloro-2-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C18H14ClN3O6S MolecularWeight: 435.83826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O6S/c1-11-16(17(23)14-9-8-12(19)10-15(14)22(24)25)18(21(2)20-11)28-29(26,27)13-6-4-3-5-7-13/h3-10H,1-2H3