methyl 5,7-dinitro-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate

Systemtic Name: methyl 5,7-dinitro-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate Openeye Name: methyl 5,7-dinitro-3-oxo-4H-1,4-benzothiazine-2-carboxylate CAS Name: 5,7-dinitro-3-oxo-4H-1,4-benzothiazine-2-carboxylic acid methyl ester IUPAC Name: methyl 5,7-dinitro-3-oxo-4H-1,4-benzothiazine-2-carboxylate Traditional Name: 3-keto-5,7-dinitro-4H-1,4-benzothiazine-2-carboxylic acid methyl ester Formula: C10H7N3O7S MolecularWeight: 313.24348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)NC2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C(=O)NC2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O7S/c1-20-10(15)8-9(14)11-7-5(13(18)19)2-4(12(16)17)3-6(7)21-8/h2-3,8H,1H3,(H,11,14)