5-bromanyl-3-(3-nitrophenyl)-2-(propanoylamino)benzenesulfonic acid

Systemtic Name: 5-bromanyl-3-(3-nitrophenyl)-2-(propanoylamino)benzenesulfonic acid Openeye Name: 5-bromo-3-(3-nitrophenyl)-2-(propanoylamino)benzenesulfonic acid CAS Name: 5-bromo-3-(3-nitrophenyl)-2-(1-oxopropylamino)benzenesulfonic acid IUPAC Name: 5-bromo-3-(3-nitrophenyl)-2-(propanoylamino)benzenesulfonic acid Traditional Name: 5-bromo-3-(3-nitrophenyl)-2-propionamido-besylic acid Formula: C15H13BrN2O6S MolecularWeight: 429.24252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])Br)S(=O)(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])Br)S(=O)(=O)O

InChI

InChI=1S/C15H13BrN2O6S/c1-2-14(19)17-15-12(7-10(16)8-13(15)25(22,23)24)9-4-3-5-11(6-9)18(20)21/h3-8H,2H2,1H3,(H,17,19)(H,22,23,24)