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

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C17H12BrN3O4S MolecularWeight: 434.26388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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