methyl 4-[methylsulfonyl-(1,3,5-trimethylpyrazol-4-yl)carbamoyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[methylsulfonyl-(1,3,5-trimethylpyrazol-4-yl)carbamoyl]-2-nitro-benzoate Openeye Name: methyl 4-[methylsulfonyl-(1,3,5-trimethylpyrazol-4-yl)carbamoyl]-2-nitro-benzoate CAS Name: 4-[[methylsulfonyl-(1,3,5-trimethyl-4-pyrazolyl)amino]-oxomethyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[methylsulfonyl-(1,3,5-trimethylpyrazol-4-yl)carbamoyl]-2-nitrobenzoate Traditional Name: 4-[mesyl-(1,3,5-trimethylpyrazol-4-yl)carbamoyl]-2-nitro-benzoic acid methyl ester Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H18N4O7S/c1-9-14(10(2)18(3)17-9)19(28(5,25)26)15(21)11-6-7-12(16(22)27-4)13(8-11)20(23)24/h6-8H,1-5H3