N-(4-chloranyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide Formula: C20H12ClN5O5S MolecularWeight: 469.85778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12ClN5O5S/c21-16-5-3-6-17-18(16)23-20(32-17)24(11-13-4-1-2-7-22-13)19(27)12-8-14(25(28)29)10-15(9-12)26(30)31/h1-10H,11H2