[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O6S/c1-11-6-8-13(9-7-11)29(26,27)21-16(19)10-17(20-21)28-18(23)14-4-3-5-15(12(14)2)22(24)25/h3-10H,19H2,1-2H3