[4-(propan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(propan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(isopropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(propan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(isopropylcarbamoyl)phenyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-11(2)17-16(19)12-6-8-14(9-7-12)24-25(22,23)15-5-3-4-13(10-15)18(20)21/h3-11H,1-2H3,(H,17,19)