[4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]phenyl] ester Formula: C23H17N3O8S MolecularWeight: 495.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O8S/c1-14-19-7-2-3-8-20(19)33-21(14)23(28)25-24-22(27)15-9-11-17(12-10-15)34-35(31,32)18-6-4-5-16(13-18)26(29)30/h2-13H,1H3,(H,24,27)(H,25,28)