[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C22H21NO7/c1-3-27-18-7-5-4-6-15(18)8-9-22(26)28-12-21(25)23-17-11-20-19(29-13-30-20)10-16(17)14(2)24/h4-11H,3,12-13H2,1-2H3,(H,23,25)/b9-8+