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

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C17H13ClN4O6S MolecularWeight: 436.82632

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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(=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O6S/c1-10-2-5-12(6-3-10)29(26,27)21-15(19)9-16(20-21)28-17(23)11-4-7-13(18)14(8-11)22(24)25/h2-9H,19H2,1H3