[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-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-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H12ClNO5 MolecularWeight: 321.71248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO5/c1-2-5-17-13(18)8-20-14(19)4-3-10-6-11(16)15-12(7-10)21-9-22-15/h1,3-4,6-7H,5,8-9H2,(H,17,18)/b4-3+