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

Systemtic Name: [4-(pyridin-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(2-pyridylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(2-pyridinylamino)methyl]phenyl] ester IUPAC Name: [4-(pyridin-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(2-pyridylcarbamoyl)phenyl] ester Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6S/c22-18(20-17-6-1-2-11-19-17)13-7-9-15(10-8-13)27-28(25,26)16-5-3-4-14(12-16)21(23)24/h1-12H,(H,19,20,22)