[4-[(3-oxidanylpyridin-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3-oxidanylpyridin-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3-hydroxy-2-pyridyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(3-hydroxy-2-pyridinyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-hydroxypyridin-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3-hydroxy-2-pyridyl)carbamoyl]phenyl] ester Formula: C18H13N3O7S MolecularWeight: 415.37672

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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=C(C=CC=N3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7S/c22-16-5-2-10-19-17(16)20-18(23)12-6-8-14(9-7-12)28-29(26,27)15-4-1-3-13(11-15)21(24)25/h1-11,22H,(H,19,20,23)