[4-(2-nitropropanoylamino)phenyl] benzenesulfonate

Systemtic Name: [4-(2-nitropropanoylamino)phenyl] benzenesulfonate Openeye Name: [4-(2-nitropropanoylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(2-nitro-1-oxopropyl)amino]phenyl] ester IUPAC Name: [4-(2-nitropropanoylamino)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(2-nitropropanoylamino)phenyl] ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c1-11(17(19)20)15(18)16-12-7-9-13(10-8-12)23-24(21,22)14-5-3-2-4-6-14/h2-11H,1H3,(H,16,18)