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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

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