2-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 2-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 2-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 2-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 2-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 2-nitro-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C17H10N4O5S MolecularWeight: 382.3501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O5S/c1-2-9-19-14-8-7-11(20(23)24)10-15(14)27-17(19)18-16(22)12-5-3-4-6-13(12)21(25)26/h1,3-8,10H,9H2