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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H19NO5/c1-3-11(2)17-15(18)9-20-16(19)7-5-12-4-6-13-14(8-12)22-10-21-13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)/b7-5+