[4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(indan-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2,3-dihydro-1H-inden-5-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(indan-5-ylcarbamoyl)phenyl] ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6S/c25-22(23-18-10-7-15-3-1-4-17(15)13-18)16-8-11-20(12-9-16)30-31(28,29)21-6-2-5-19(14-21)24(26)27/h2,5-14H,1,3-4H2,(H,23,25)