4-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: 4-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C16H11ClN4O6S MolecularWeight: 422.79974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O6S/c1-2-27-9-3-4-10-13(7-9)28-16(18-10)19-15(22)8-5-11(20(23)24)14(17)12(6-8)21(25)26/h3-7H,2H2,1H3,(H,18,19,22)