[5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 3,5-dinitrobenzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C16H11N5O8S MolecularWeight: 433.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5O8S/c17-14-9-15(18-19(14)30(27,28)13-4-2-1-3-5-13)29-16(22)10-6-11(20(23)24)8-12(7-10)21(25)26/h1-9H,17H2