N-(6-nitro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide Formula: C21H13N3O4S MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4S/c25-20(23-21-22-15-10-9-12(24(26)27)11-18(15)29-21)19-13-5-1-3-7-16(13)28-17-8-4-2-6-14(17)19/h1-11,19H,(H,22,23,25)