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

Systemtic Name: [4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(piperonyloylamino)carbamoyl]phenyl] ester Formula: C21H15N3O9S MolecularWeight: 485.4235

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H15N3O9S/c25-20(22-23-21(26)14-6-9-18-19(10-14)32-12-31-18)13-4-7-16(8-5-13)33-34(29,30)17-3-1-2-15(11-17)24(27)28/h1-11H,12H2,(H,22,25)(H,23,26)