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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCCCNC(=O)COC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C16H18ClNO5/c1-2-3-6-18-14(19)9-21-15(20)5-4-11-7-12(17)16-13(8-11)22-10-23-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,18,19)/b5-4+