N-[(E)-(3-bromanyl-4-prop-2-ynoxy-phenyl)methylideneamino]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(E)-(3-bromanyl-4-prop-2-ynoxy-phenyl)methylideneamino]-3,4-dimethoxy-benzamide Openeye Name: N-[(E)-(3-bromo-4-prop-2-ynoxy-phenyl)methyleneamino]-3,4-dimethoxy-benzamide CAS Name: N-[(E)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide IUPAC Name: N-[(E)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide Traditional Name: N-[(E)-(3-bromo-4-propargyloxy-benzylidene)amino]-3,4-dimethoxy-benzamide Formula: C19H17BrN2O4 MolecularWeight: 417.25328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OCC#C)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OCC#C)Br)OC

InChI

InChI=1S/C19H17BrN2O4/c1-4-9-26-16-7-5-13(10-15(16)20)12-21-22-19(23)14-6-8-17(24-2)18(11-14)25-3/h1,5-8,10-12H,9H2,2-3H3,(H,22,23)/b21-12+