N-(6-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(6-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C16H11ClN4O5S MolecularWeight: 406.80034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)C)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)C)Cl

InChI

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