ethyl 7-methyl-5-nitro-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxylate

Systemtic Name: ethyl 7-methyl-5-nitro-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxylate Openeye Name: ethyl 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylate CAS Name: 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylate Traditional Name: 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxylic acid ethyl ester Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=C(S1)C(=CC(=C2)[N+](=O)[O-])C)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=C(S1)C(=CC(=C2)[N+](=O)[O-])C)[O-]

InChI

InChI=1S/C11H10N2O5S/c1-3-18-11(14)10-12(15)8-5-7(13(16)17)4-6(2)9(8)19-10/h4-5H,3H2,1-2H3