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

Systemtic Name: [5-azanyl-1-(4-nitrophenyl)sulfonyl-pyrazol-3-yl] 3,5-dinitrobenzoate Openeye Name: [5-amino-1-(4-nitrophenyl)sulfonyl-pyrazol-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-amino-1-(4-nitrophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-nitrophenyl)sulfonylpyrazol-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (5-amino-1-nosyl-pyrazol-3-yl) ester Formula: C16H10N6O10S MolecularWeight: 478.3498

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N6O10S/c17-14-8-15(18-19(14)33(30,31)13-3-1-10(2-4-13)20(24)25)32-16(23)9-5-11(21(26)27)7-12(6-9)22(28)29/h1-8H,17H2