[4-[[(2,5-dimethylfuran-3-yl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[(2,5-dimethylfuran-3-yl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[(2,5-dimethyl-3-furanyl)-oxomethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[(2,5-dimethyl-3-furoyl)amino]carbamoyl]phenyl] ester Formula: C20H17N3O8S MolecularWeight: 459.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8S/c1-12-10-18(13(2)30-12)20(25)22-21-19(24)14-6-8-16(9-7-14)31-32(28,29)17-5-3-4-15(11-17)23(26)27/h3-11H,1-2H3,(H,21,24)(H,22,25)