(3S)-N-(5-nitro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(5-nitro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(5-nitrothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(5-nitro-2-thiazolyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(5-nitro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(5-nitrothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O5S/c16-11(14-12-13-5-10(21-12)15(17)18)9-6-19-7-3-1-2-4-8(7)20-9/h1-5,9H,6H2,(H,13,14,16)/t9-/m0/s1