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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)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)10-6-11(16(23)28-4)8-12(7-10)21(24)25/h6-8H,5H2,1-4H3