[5-azanyl-1-(4-nitrophenyl)sulfonyl-pyrazol-3-yl] 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: [5-azanyl-1-(4-nitrophenyl)sulfonyl-pyrazol-3-yl] 4-chloranyl-3,5-dinitro-benzoate Openeye Name: [5-amino-1-(4-nitrophenyl)sulfonyl-pyrazol-3-yl] 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid [5-amino-1-(4-nitrophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-nitrophenyl)sulfonylpyrazol-3-yl] 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid (5-amino-1-nosyl-pyrazol-3-yl) ester Formula: C16H9ClN6O10S MolecularWeight: 512.79486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN6O10S/c17-15-11(22(27)28)5-8(6-12(15)23(29)30)16(24)33-14-7-13(18)20(19-14)34(31,32)10-3-1-9(2-4-10)21(25)26/h1-7H,18H2