(2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-but-3-enamide

Systemtic Name: (2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-but-3-enamide Openeye Name: (2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-but-3-enamide CAS Name: (2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-butenamide IUPAC Name: (2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyanobut-3-enamide Traditional Name: (2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-but-3-enamide Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)N)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C=C([C@H](C#N)C(=O)N)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H11N3O3/c1-7(9(5-13)12(14)16)15-8-2-3-10-11(4-8)18-6-17-10/h2-4,9,15H,1,6H2,(H2,14,16)/t9-/m0/s1