[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl] ester Formula: C21H16N2O8S MolecularWeight: 456.42534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O8S/c24-21(22-15-6-9-19-20(12-15)30-11-10-29-19)14-4-7-17(8-5-14)31-32(27,28)18-3-1-2-16(13-18)23(25)26/h1-9,12-13H,10-11H2,(H,22,24)