[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2,4-dinitrobenzoate

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2,4-dinitrobenzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C17H13N5O8S MolecularWeight: 447.37882

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O8S/c1-10-2-5-12(6-3-10)31(28,29)20-15(18)9-16(19-20)30-17(23)13-7-4-11(21(24)25)8-14(13)22(26)27/h2-9H,18H2,1H3