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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-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-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (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-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H22ClNO5 MolecularWeight: 379.83468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H22ClNO5/c20-15-10-14(11-16-19(15)26-13-25-16)6-7-18(23)24-12-17(22)21-8-4-2-1-3-5-9-21/h6-7,10-11H,1-5,8-9,12-13H2/b7-6+