[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] ester Formula: C20H14N2O8S MolecularWeight: 442.39876

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O8S/c23-20(21-14-6-9-18-19(10-14)29-12-28-18)13-4-7-16(8-5-13)30-31(26,27)17-3-1-2-15(11-17)22(24)25/h1-11H,12H2,(H,21,23)