[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C#CCNC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H13NO5/c1-2-7-16-14(17)9-19-15(18)6-4-11-3-5-12-13(8-11)21-10-20-12/h1,3-6,8H,7,9-10H2,(H,16,17)/b6-4+