propyl 4-[(3-bromanyl-4-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: propyl 4-[(3-bromanyl-4-nitro-phenyl)sulfonylamino]benzoate Openeye Name: propyl 4-[(3-bromo-4-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(3-bromo-4-nitrophenyl)sulfonylamino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-bromo-4-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(3-bromo-4-nitro-phenyl)sulfonylamino]benzoic acid propyl ester Formula: C16H15BrN2O6S MolecularWeight: 443.2691

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H15BrN2O6S/c1-2-9-25-16(20)11-3-5-12(6-4-11)18-26(23,24)13-7-8-15(19(21)22)14(17)10-13/h3-8,10,18H,2,9H2,1H3