phenyl 3-(2-nitrobutanoylamino)benzenesulfonate

Systemtic Name: phenyl 3-(2-nitrobutanoylamino)benzenesulfonate Openeye Name: phenyl 3-(2-nitrobutanoylamino)benzenesulfonate CAS Name: 3-[(2-nitro-1-oxobutyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-nitrobutanoylamino)benzenesulfonate Traditional Name: 3-(2-nitrobutanoylamino)benzenesulfonic acid phenyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-2-15(18(20)21)16(19)17-12-7-6-10-14(11-12)25(22,23)24-13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H,17,19)