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

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C16H12N4O6S MolecularWeight: 388.35468

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6S/c17-14-10-15(18-19(14)27(24,25)13-7-2-1-3-8-13)26-16(21)11-5-4-6-12(9-11)20(22)23/h1-10H,17H2