N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Formula: C20H12N4O5S MolecularWeight: 420.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12N4O5S/c25-19(13-9-15(23(26)27)11-16(10-13)24(28)29)21-14-7-5-12(6-8-14)20-22-17-3-1-2-4-18(17)30-20/h1-11H,(H,21,25)