methyl 5-(1,4-dimethyl-5-methylsulfonyl-pyrazol-3-yl)oxy-2-nitro-benzoate

Systemtic Name: methyl 5-(1,4-dimethyl-5-methylsulfonyl-pyrazol-3-yl)oxy-2-nitro-benzoate Openeye Name: methyl 5-(1,4-dimethyl-5-methylsulfonyl-pyrazol-3-yl)oxy-2-nitro-benzoate CAS Name: 5-[(1,4-dimethyl-5-methylsulfonyl-3-pyrazolyl)oxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-(1,4-dimethyl-5-methylsulfonylpyrazol-3-yl)oxy-2-nitrobenzoate Traditional Name: 5-(5-mesyl-1,4-dimethyl-pyrazol-3-yl)oxy-2-nitro-benzoic acid methyl ester Formula: C14H15N3O7S MolecularWeight: 369.3498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(N(N=C1OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC)C)S(=O)(=O)C

InChI

InChI=1S/C14H15N3O7S/c1-8-12(15-16(2)13(8)25(4,21)22)24-9-5-6-11(17(19)20)10(7-9)14(18)23-3/h5-7H,1-4H3