[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic 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] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O7/c1-12(22-20(26)14-6-4-3-5-7-14)21(27)28-10-19(25)23-16-9-18-17(29-11-30-18)8-15(16)13(2)24/h3-9,12H,10-11H2,1-2H3,(H,22,26)(H,23,25)