[4-[(furan-2-ylcarbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(furan-2-ylcarbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(furan-2-carbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[2-furanyl(oxo)methyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[(furan-2-carbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-furoylamino)carbamoyl]phenyl] ester Formula: C18H13N3O8S MolecularWeight: 431.37612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O8S/c22-17(19-20-18(23)16-5-2-10-28-16)12-6-8-14(9-7-12)29-30(26,27)15-4-1-3-13(11-15)21(24)25/h1-11H,(H,19,22)(H,20,23)