N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dinitro-benzamide Formula: C21H14N4O5S MolecularWeight: 434.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S/c1-12-2-9-17-19(10-12)31-21(23-17)13-3-5-14(6-4-13)22-20(26)16-8-7-15(24(27)28)11-18(16)25(29)30/h2-11H,1H3,(H,22,26)