2-bromanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-nitro-benzamide Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrN3O4S/c1-2-24-10-4-6-13-14(8-10)25-16(18-13)19-15(21)11-7-9(20(22)23)3-5-12(11)17/h3-8H,2H2,1H3,(H,18,19,21)