N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-nitro-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=C(C=C2)Br)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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