4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-pyridine-2-sulfonic acid

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-pyridine-2-sulfonic acid Openeye Name: 4-(2-methoxy-2-oxo-ethyl)-5-nitro-pyridine-2-sulfonic acid CAS Name: 4-(2-methoxy-2-oxoethyl)-5-nitro-2-pyridinesulfonic acid IUPAC Name: 4-(2-methoxy-2-oxoethyl)-5-nitropyridine-2-sulfonic acid Traditional Name: 4-(2-keto-2-methoxy-ethyl)-5-nitro-pyridine-2-sulfonic acid Formula: C8H8N2O7S MolecularWeight: 276.22332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=NC=C1[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

COC(=O)CC1=CC(=NC=C1[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C8H8N2O7S/c1-17-8(11)3-5-2-7(18(14,15)16)9-4-6(5)10(12)13/h2,4H,3H2,1H3,(H,14,15,16)