4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-pyridine-2-sulfonate

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-pyridine-2-sulfonate Openeye Name: 4-(2-methoxy-2-oxo-ethyl)-5-nitro-pyridine-2-sulfonate CAS Name: 4-(2-methoxy-2-oxoethyl)-5-nitro-2-pyridinesulfonate IUPAC Name: 4-(2-methoxy-2-oxoethyl)-5-nitropyridine-2-sulfonate Traditional Name: 4-(2-keto-2-methoxy-ethyl)-5-nitro-pyridine-2-sulfonate Formula: C8H7N2O7S- MolecularWeight: 275.21538

Click to see the large picture

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)/p-1