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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-4-methoxy-3-nitro-benzamide Formula: C21H14BrN3O4S MolecularWeight: 484.32256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4S/c1-29-18-9-6-12(10-17(18)25(27)28)20(26)23-15-8-7-13(22)11-14(15)21-24-16-4-2-3-5-19(16)30-21/h2-11H,1H3,(H,23,26)