(4-cyanophenyl)methyl 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: (4-cyanophenyl)methyl 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-cyanobenzyl) ester Formula: C21H15N3O7S MolecularWeight: 453.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O7S/c22-12-14-4-6-15(7-5-14)13-31-21(26)19-10-16(8-9-20(19)25)23-32(29,30)18-3-1-2-17(11-18)24(27)28/h1-11,23,25H,13H2