[5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C23H15ClN4O8S MolecularWeight: 542.9052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H15ClN4O8S/c1-14-21(37(34,35)18-10-7-16(8-11-18)27(30)31)22(26(25-14)15-5-3-2-4-6-15)36-23(29)19-13-17(28(32)33)9-12-20(19)24/h2-13H,1H3