[3-cyano-1-[(4-nitrophenyl)methyl]-2-oxidanyl-6-oxidanylidene-pyridin-4-yl]methanesulfonic acid

Systemtic Name: [3-cyano-1-[(4-nitrophenyl)methyl]-2-oxidanyl-6-oxidanylidene-pyridin-4-yl]methanesulfonic acid Openeye Name: [3-cyano-2-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-4-pyridyl]methanesulfonic acid CAS Name: [3-cyano-2-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-4-pyridinyl]methanesulfonic acid IUPAC Name: [3-cyano-2-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxopyridin-4-yl]methanesulfonic acid Traditional Name: [3-cyano-2-hydroxy-6-keto-1-(4-nitrobenzyl)-4-pyridyl]methanesulfonic acid Formula: C14H11N3O7S MolecularWeight: 365.31804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=C(C(=C2O)C#N)CS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=C(C(=C2O)C#N)CS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O7S/c15-6-12-10(8-25(22,23)24)5-13(18)16(14(12)19)7-9-1-3-11(4-2-9)17(20)21/h1-5,19H,7-8H2,(H,22,23,24)