(E)-1-azido-3-(2,5-dimethoxyphenyl)but-2-en-1-one

Systemtic Name: (E)-1-azido-3-(2,5-dimethoxyphenyl)but-2-en-1-one Openeye Name: (E)-3-(2,5-dimethoxyphenyl)but-2-enoyl azide CAS Name: (E)-1-azido-3-(2,5-dimethoxyphenyl)-2-buten-1-one IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)but-2-enoyl azide Traditional Name: (E)-1-azido-3-(2,5-dimethoxyphenyl)but-2-en-1-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N=[N+]=[N-])C1=C(C=CC(=C1)OC)OC

Isomeric SMILES

C/C(=C\C(=O)N=[N+]=[N-])/C1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C12H13N3O3/c1-8(6-12(16)14-15-13)10-7-9(17-2)4-5-11(10)18-3/h4-7H,1-3H3/b8-6+