(E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C18H14BrN3O5S MolecularWeight: 464.28986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O5S/c1-26-14-8-10(7-12(19)17(14)27-2)3-6-16(23)21-18-20-13-5-4-11(22(24)25)9-15(13)28-18/h3-9H,1-2H3,(H,20,21,23)/b6-3+