(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C12H12N4O6S MolecularWeight: 340.31188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C

InChI

InChI=1S/C12H12N4O6S/c1-7-8(4-3-5-9(7)16(18)19)12(17)22-11-6-10(13)15(14-11)23(2,20)21/h3-6H,13H2,1-2H3