(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 4-methoxy-3-nitro-benzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 4-methoxy-3-nitro-benzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C12H12N4O7S MolecularWeight: 356.31128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O7S/c1-22-9-4-3-7(5-8(9)16(18)19)12(17)23-11-6-10(13)15(14-11)24(2,20)21/h3-6H,13H2,1-2H3