(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C17H12BrN3O4S MolecularWeight: 434.26388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O4S/c1-25-14-6-3-11(18)8-10(14)2-7-16(22)20-17-19-13-5-4-12(21(23)24)9-15(13)26-17/h2-9H,1H3,(H,19,20,22)/b7-2+