6-nitro-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid

Systemtic Name: 6-nitro-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid Openeye Name: 6-nitro-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid CAS Name: 6-nitro-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid IUPAC Name: 6-nitro-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid Traditional Name: 4-keto-6-nitro-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid Formula: C11H5N3O5S MolecularWeight: 291.2395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC3=NC=C(C(=O)N23)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)SC3=NC=C(C(=O)N23)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H5N3O5S/c15-9-5(10(16)17)4-12-11-13(9)8-6(14(18)19)2-1-3-7(8)20-11/h1-4H,(H,16,17)