[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 3-nitrobenzoate

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H14N4O6S/c1-11-5-7-14(8-6-11)28(25,26)20-15(18)10-16(19-20)27-17(22)12-3-2-4-13(9-12)21(23)24/h2-10H,18H2,1H3