N-(4-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(4-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C16H11ClN4O5S MolecularWeight: 406.80034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O5S/c1-2-19-14-12(17)4-3-5-13(14)27-16(19)18-15(22)9-6-10(20(23)24)8-11(7-9)21(25)26/h3-8H,2H2,1H3