methyl 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-carbamoyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-carbamoyl]-2-nitro-benzoate Openeye Name: methyl 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-carbamoyl]-2-nitro-benzoate CAS Name: 4-[[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl-ethylamino]-oxomethyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-ethylcarbamoyl]-2-nitrobenzoate Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-carbamoyl]-2-nitro-benzoic acid methyl ester Formula: C16H17ClN4O7S MolecularWeight: 444.84678

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C2=C(N(N=C2C)C)Cl

Isomeric SMILES

CCN(C(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C2=C(N(N=C2C)C)Cl

InChI

InChI=1S/C16H17ClN4O7S/c1-5-20(29(26,27)13-9(2)18-19(3)14(13)17)15(22)10-6-7-11(16(23)28-4)12(8-10)21(24)25/h6-8H,5H2,1-4H3