N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-bromanyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-bromo-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-2-bromobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-2-bromobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-bromo-benzamide Formula: C20H12BrN3O3S MolecularWeight: 454.29658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C20H12BrN3O3S/c21-15-6-2-1-5-13(15)19(25)22-17-11-12(24(26)27)9-10-14(17)20-23-16-7-3-4-8-18(16)28-20/h1-11H,(H,22,25)